Anupam Das Talukdar
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Previous Organizations / Institutes
The organizations / institutes from the scholar's other articles in the past ten years
Research Subjects
Anupam Das Talukdar has a total of 143 co-authors. Here are the top co-authors by number of shared publications:
Deepa Nath
Department of Botany, Gurucharan College, Silchar, Cachar, Assam, 788004, India
29 shared publications- Rajat Nath
Department of Biotechnology and Microbiology, Techno India University, Tripura, Agartala, India
29 shared publications - Sibashish Kityania
Department of Life Science and Bioinformatics, Assam University, Silchar 788011, India
17 shared publications - Lutfun Nahar
Laboratory of Growth Regulators, Palacký University and Institute of Experimental Botany, The Czech Academy of Sciences
11 shared publications Manabendra Dutta Choudhury
11 shared publicationsSubrata Das
Karimganj College
11 shared publications
Latest Publications
- Open Access
- 1 October 2026
- Published by Bentham Science Publishers Ltd. in Current Diabetes Reviews
- Vol. 22 (8)
Identification of RAGE Inhibitors from Curcuma caesia Roxb: Implications in Treatment against Diabetic Complications
Introduction: Diabetic nephropathy (DN) is a progressive renal complication that significantly contributes to end-stage renal disease. Hyperglycaemia contributes to the formation of advanced glycation end-products (AGEs). The interaction between AGEs and their receptor (RAGE) plays a key role in the progression of DN. RAGE activation increases oxidative stress and promotes inflammation, thereby evoking cellular and molecular damage. Together, these events result in kidney injury and varying degrees of proteinuria. This study aims to evaluate the drug-like properties of potential natural compounds derived from Curcuma caesia and their potential effectiveness against DN. Methods: This study investigates the antioxidant properties of Curcuma caesia (CC) rhizome extracts, alongside in silico methodologies including molecular docking, QSAR, and ADMET analysis to identify potential metabolites. Results: In this study, we examined the potential of phytochemicals identified from the rhizome extracts of Curcuma caesia (CC) that may mimic AGEs and inhibit RAGE activation. We assessed whether these phytochemicals could prevent ROS accumulation and inflammation, thereby providing renoprotection in a diabetic milieu. Using molecular docking and ADMET analysis, we identified two compounds, Lappaol A and Piperaduncin B, in the methanolic extract of CC, which demonstrated a stronger affinity for interacting with RAGE than the AGE compound MODIC and the RAGE inhibitor Azeliragon. Discussion: Since the interaction between AGEs and RAGE contributes to major pathological events in the development of DN, inhibiting this interaction could be a valuable therapeutic strategy against DN and other AGE-mediated pathologies such as retinopathy and neuropathy. Virtual screening of the identified compounds revealed that Lappaol A and Piperaduncin B effectively bind to RAGE and may interrupt RAGE activation, thereby potentially slowing the progression of DN. Conclusion: These natural compounds exhibited promising drug-like characteristics against the target protein RAGE and may serve as lead compounds for the development of RAGE inhibitors. The study recommends further in vitro and in vivo investigations to assess the therapeutic potential of these identified compounds in the treatment of diabetic nephropathy.
- 1 October 2026
- Published by Bentham Science Publishers Ltd. in Current Diabetes Reviews
- Vol. 22 (8)
Open AccessIdentification of RAGE Inhibitors from Curcuma caesia Roxb: Implications in Treatment against Diabetic Complications
Introduction: Diabetic nephropathy (DN) is a progressive renal complication that significantly contributes to end-stage renal disease. Hyperglycaemia contributes to the formation of advanced glycation end-products (AGEs). The interaction between AGEs and their receptor (RAGE) plays a key role in the progression of DN. RAGE activation increases oxidative stress and promotes inflammation, thereby evoking cellular and molecular damage. Together, these events result in kidney injury and varying degrees of proteinuria. This study aims to evaluate the drug-like properties of potential natural compounds derived from Curcuma caesia and their potential effectiveness against DN. Methods: This study investigates the antioxidant properties of Curcuma caesia (CC) rhizome extracts, alongside in silico methodologies including molecular docking, QSAR, and ADMET analysis to identify potential metabolites. Results: In this study, we examined the potential of phytochemicals identified from the rhizome extracts of Curcuma caesia (CC) that may mimic AGEs and inhibit RAGE activation. We assessed whether these phytochemicals could prevent ROS accumulation and inflammation, thereby providing renoprotection in a diabetic milieu. Using molecular docking and ADMET analysis, we identified two compounds, Lappaol A and Piperaduncin B, in the methanolic extract of CC, which demonstrated a stronger affinity for interacting with RAGE than the AGE compound MODIC and the RAGE inhibitor Azeliragon. Discussion: Since the interaction between AGEs and RAGE contributes to major pathological events in the development of DN, inhibiting this interaction could be a valuable therapeutic strategy against DN and other AGE-mediated pathologies such as retinopathy and neuropathy. Virtual screening of the identified compounds revealed that Lappaol A and Piperaduncin B effectively bind to RAGE and may interrupt RAGE activation, thereby potentially slowing the progression of DN. Conclusion: These natural compounds exhibited promising drug-like characteristics against the target protein RAGE and may serve as lead compounds for the development of RAGE inhibitors. The study recommends further in vitro and in vivo investigations to assess the therapeutic potential of these identified compounds in the treatment of diabetic nephropathy.
- 24 August 2026
- Published by Bentham Science Publishers Ltd. in Current Cancer Therapy Reviews
- Vol. 22, 1-31
Acteoside in Cancer Therapy: Integrating Ethnomedicinal Insights with Bibliometric Analysis
Introduction: Cancer remains a major global health challenge, accounting for nearly one in six deaths worldwide, with treatment often limited by drug resistance, tumour heterogeneity, and therapy-related side effects. Natural plant-derived compounds have gained attention as potential therapeutic leads owing to their structural diversity and multi-targeted mechanisms. Acteoside (Verbascoside), a phenylethanoid glycoside obtained from medicinal plants, exhibits diverse biological and promising anticancer effects. However, information on acteoside remains scattered across phytochemical, pharmacological, and experimental studies. This review integrates current evidence to provide a comprehensive overview of acteoside in cancer research. Methods: Literature retrieval for this study was conducted using the Scopus database due to its extensive coverage of peer-reviewed journals, robust metadata indexing, and suitability for ethnopharmacological, bibliometric, and pharmacognostic analyses. The study included four analytical components, viz., cataloguing plant sources of acteoside to establish a pharmacognostic repository, bibliometric analysis of acteoside-related cancer research (1990-2024) to identify trends, mapping of cancer types investigated in acteoside studies, and predictive acteoside-disease target mapping using network pharmacology to evaluate oncological relevance. Results: The former two analyses highlight the broad botanical distribution of acteoside and increasing interest in its anticancer potential. Cancer-type mapping showed investigations across multiple malignancies. Predictive acteoside-disease target mapping revealed that cancer exhibited the highest number of connections with acteoside-associated targets. Discussion: These findings reinforce the growing relevance of acteoside in cancer research. Conclusion: Overall, this integrative overview provides a foundation for future experimental and translational research on acteoside as a promising natural anticancer lead.
- 24 August 2026
- Published by Bentham Science Publishers Ltd. in Current Cancer Therapy Reviews
- Vol. 22, 1-31
Acteoside in Cancer Therapy: Integrating Ethnomedicinal Insights with Bibliometric Analysis
Introduction: Cancer remains a major global health challenge, accounting for nearly one in six deaths worldwide, with treatment often limited by drug resistance, tumour heterogeneity, and therapy-related side effects. Natural plant-derived compounds have gained attention as potential therapeutic leads owing to their structural diversity and multi-targeted mechanisms. Acteoside (Verbascoside), a phenylethanoid glycoside obtained from medicinal plants, exhibits diverse biological and promising anticancer effects. However, information on acteoside remains scattered across phytochemical, pharmacological, and experimental studies. This review integrates current evidence to provide a comprehensive overview of acteoside in cancer research. Methods: Literature retrieval for this study was conducted using the Scopus database due to its extensive coverage of peer-reviewed journals, robust metadata indexing, and suitability for ethnopharmacological, bibliometric, and pharmacognostic analyses. The study included four analytical components, viz., cataloguing plant sources of acteoside to establish a pharmacognostic repository, bibliometric analysis of acteoside-related cancer research (1990-2024) to identify trends, mapping of cancer types investigated in acteoside studies, and predictive acteoside-disease target mapping using network pharmacology to evaluate oncological relevance. Results: The former two analyses highlight the broad botanical distribution of acteoside and increasing interest in its anticancer potential. Cancer-type mapping showed investigations across multiple malignancies. Predictive acteoside-disease target mapping revealed that cancer exhibited the highest number of connections with acteoside-associated targets. Discussion: These findings reinforce the growing relevance of acteoside in cancer research. Conclusion: Overall, this integrative overview provides a foundation for future experimental and translational research on acteoside as a promising natural anticancer lead.
- Open Access
- 24 August 2026
- Published by Elsevier in SSRN Electronic Journal
Occurrence of hypervirulent Klebsiella pneumoniae with multiple hypervirulence determinants from environmental origin: A study from North-East India
Background: Hypervirulent Klebsiella pneumoniae (hvKp), traditionally linked to clinical infections, is increasingly being detected in environmental reservoirs, raising concerns about its potential impact on public health. Objectives: This study aimed to investigate the occurrence, molecular characteristics, and antimicrobial resistance profiles of hvKp strains isolated from environmental surfaces, specifically soil, freshwater bodies, and drainage systems of this region. Methods: A total of 152 environmental samples were collected and analyzed. From these, 94 K. pneumoniae isolates were identified. Phenotypic characterization (string test) was done to see the hypermucoviscosity of the isolates. Genotypic characterization was done to detect the presence of virulence genes. Lastly antibiotic susceptibility testing was done to study the antibiogram profile of the isolates. Results: From the 94 K. pneumoniae isolates, 33/94 (35%) tested positive for the hypermucoviscosity phenotype and 51/94 (54%) carried more than one virulence genes associated with iron acquisition, siderophore synthesis and other pathogenic traits. Antibiotic susceptibility testing revealed high resistance rates, with 39/51 (76.47%) resistant to gentamicin and 32/51 (62.74%) resistant to ceftriaxone. Notably, 25/51 (49%) of the isolates exhibited pan-resistance, including resistance to imipenem, underscoring the alarming presence of multidrug-resistant strains in environmental reservoirs. Conclusion: This study reveals that soil and water samples from different places of Barak Valley region harbors multidrug-resistant hypervirulent Klebsiella pneumoniae. The detection of hypermucoviscous phenotypes and virulence genes in these environmental isolates indicates that non-clinical settings can act as reservoirs for clinically significant traits. These results highlight a high risk of transmission to humans and emphasize the need for stricter environmental surveillance and antibiotic stewardship. This study provide evidence that will help safeguard public health and control the spread of antibiotic resistance by confirming resistance and virulence profiles outside of healthcare settings.
- 24 August 2026
- Published by Elsevier in SSRN Electronic Journal
Open AccessOccurrence of hypervirulent Klebsiella pneumoniae with multiple hypervirulence determinants from environmental origin: A study from North-East India
Background: Hypervirulent Klebsiella pneumoniae (hvKp), traditionally linked to clinical infections, is increasingly being detected in environmental reservoirs, raising concerns about its potential impact on public health. Objectives: This study aimed to investigate the occurrence, molecular characteristics, and antimicrobial resistance profiles of hvKp strains isolated from environmental surfaces, specifically soil, freshwater bodies, and drainage systems of this region. Methods: A total of 152 environmental samples were collected and analyzed. From these, 94 K. pneumoniae isolates were identified. Phenotypic characterization (string test) was done to see the hypermucoviscosity of the isolates. Genotypic characterization was done to detect the presence of virulence genes. Lastly antibiotic susceptibility testing was done to study the antibiogram profile of the isolates. Results: From the 94 K. pneumoniae isolates, 33/94 (35%) tested positive for the hypermucoviscosity phenotype and 51/94 (54%) carried more than one virulence genes associated with iron acquisition, siderophore synthesis and other pathogenic traits. Antibiotic susceptibility testing revealed high resistance rates, with 39/51 (76.47%) resistant to gentamicin and 32/51 (62.74%) resistant to ceftriaxone. Notably, 25/51 (49%) of the isolates exhibited pan-resistance, including resistance to imipenem, underscoring the alarming presence of multidrug-resistant strains in environmental reservoirs. Conclusion: This study reveals that soil and water samples from different places of Barak Valley region harbors multidrug-resistant hypervirulent Klebsiella pneumoniae. The detection of hypermucoviscous phenotypes and virulence genes in these environmental isolates indicates that non-clinical settings can act as reservoirs for clinically significant traits. These results highlight a high risk of transmission to humans and emphasize the need for stricter environmental surveillance and antibiotic stewardship. This study provide evidence that will help safeguard public health and control the spread of antibiotic resistance by confirming resistance and virulence profiles outside of healthcare settings.
- Open Access
- 25 June 2026
- Published by Scilight Press Pty Ltd in Natural Products Analysis
- Vol. 2 (1)
The Genus Curcuma under the Lens: A Multi-Tier Review of Bibliometric Performance Analysis, Ethnobotanical Insights, Species-Specific Evidence Mapping, and Clinical Trial Landscape
Background, the genus Curcuma (Family: Zingiberaceae), which comprises 180 accepted species, as per the Plants of the World Online (POWO) database, is well known for its extensive usage in traditional medicine. Several species of the genus offer a wide spectrum of biological/ pharmacological activities, yet a significant number remain unexplored. Objective, This review aims to assess the global research landscape of the genus Curcuma through a concise bibliometric (performance) analysis, to identify species-specific evidence for highlighting the underexplored species, to map the clinical trial landscape of the genus Curcuma and suggest future directions for the Curcuma research associated with biomedical fields. Methods, a concise bibliometric analysis was conducted utilising R software (Bibliometrix, an R package with a web-based interface, Biblioshiny) on Scopus-indexed publications from 2014 to 2024. The information regarding the accepted Curcuma species, their biogeographical insights and their synonyms was retrieved from the database ‘Plants of the World Online’ (POWO). Furthermore, an extensive literature review was carried out using databases such as ScienceDirect, PubMed, and Google Scholar to determine the taxonomic, nutritional, as well as pharmacological attributes of the genus Curcuma. At the same time, the evidence and data regarding the reported compounds and/or biological/pharmacological activities of each species were extracted from peer-reviewed literature sources. Apart from these, clinical trial data related to Curcuma were retrieved from the ClinicalTrials.gov database for subsequent analysis. Results, the bibliometric analysis revealed an increasing trend in Curcuma-based medicinal studies, high global research, and increased citations. Furthermore, species-wise literature search implied that ~62% of the genus is yet to be explored in terms of chemical characterisation and biological/pharmacological evaluation, which indicates a significant research gap. Also, the clinical trial landscape of the genus revealed a globally active yet predominantly early-to-mid-stage, academically driven research domain with significant gaps, which needs to be addressed for full-scale clinical translation as well as therapeutic integration. Conclusion, although the pharmacological importance of selected Curcuma species is well established, a large portion of the genus remains underexplored in terms of chemical characterisation (including phytochemical profiling) and biological/pharmacological evaluation. Integrating traditional ethnobotanical knowledge with modern technologies can reveal the complete therapeutic potential of the genus.
- 25 June 2026
- Published by Scilight Press Pty Ltd in Natural Products Analysis
- Vol. 2 (1)
Open AccessThe Genus Curcuma under the Lens: A Multi-Tier Review of Bibliometric Performance Analysis, Ethnobotanical Insights, Species-Specific Evidence Mapping, and Clinical Trial Landscape
Background, the genus Curcuma (Family: Zingiberaceae), which comprises 180 accepted species, as per the Plants of the World Online (POWO) database, is well known for its extensive usage in traditional medicine. Several species of the genus offer a wide spectrum of biological/ pharmacological activities, yet a significant number remain unexplored. Objective, This review aims to assess the global research landscape of the genus Curcuma through a concise bibliometric (performance) analysis, to identify species-specific evidence for highlighting the underexplored species, to map the clinical trial landscape of the genus Curcuma and suggest future directions for the Curcuma research associated with biomedical fields. Methods, a concise bibliometric analysis was conducted utilising R software (Bibliometrix, an R package with a web-based interface, Biblioshiny) on Scopus-indexed publications from 2014 to 2024. The information regarding the accepted Curcuma species, their biogeographical insights and their synonyms was retrieved from the database ‘Plants of the World Online’ (POWO). Furthermore, an extensive literature review was carried out using databases such as ScienceDirect, PubMed, and Google Scholar to determine the taxonomic, nutritional, as well as pharmacological attributes of the genus Curcuma. At the same time, the evidence and data regarding the reported compounds and/or biological/pharmacological activities of each species were extracted from peer-reviewed literature sources. Apart from these, clinical trial data related to Curcuma were retrieved from the ClinicalTrials.gov database for subsequent analysis. Results, the bibliometric analysis revealed an increasing trend in Curcuma-based medicinal studies, high global research, and increased citations. Furthermore, species-wise literature search implied that ~62% of the genus is yet to be explored in terms of chemical characterisation and biological/pharmacological evaluation, which indicates a significant research gap. Also, the clinical trial landscape of the genus revealed a globally active yet predominantly early-to-mid-stage, academically driven research domain with significant gaps, which needs to be addressed for full-scale clinical translation as well as therapeutic integration. Conclusion, although the pharmacological importance of selected Curcuma species is well established, a large portion of the genus remains underexplored in terms of chemical characterisation (including phytochemical profiling) and biological/pharmacological evaluation. Integrating traditional ethnobotanical knowledge with modern technologies can reveal the complete therapeutic potential of the genus.
- Open Access
- 8 June 2026
- Published by Springer Nature in The AAPS Journal
- Vol. 28 (4)
Correction: Nanotechnology-enhanced Natural Products for Cancer Chemoprevention: Molecular Mechanisms and Clinical Translation
- 8 June 2026
- Published by Springer Nature in The AAPS Journal
- Vol. 28 (4)
Open AccessCorrection: Nanotechnology-enhanced Natural Products for Cancer Chemoprevention: Molecular Mechanisms and Clinical Translation
- Open Access
- 1 June 2026
- Published by KEAI Publishing in Letters in Drug Design & Discovery
- Vol. 23 (6)
Croton caudatus Geiseler: Ethnomedicinal roots, phytochemical diversity, and anticancer relevance with implications for hepatocellular carcinoma
- 1 June 2026
- Published by KEAI Publishing in Letters in Drug Design & Discovery
- Vol. 23 (6)
Open AccessCroton caudatus Geiseler: Ethnomedicinal roots, phytochemical diversity, and anticancer relevance with implications for hepatocellular carcinoma
- Open Access
- 13 May 2026
- Published by Springer Nature in The AAPS Journal
- Vol. 28 (3) , 105
Nanotechnology-enhanced Natural Products for Cancer Chemoprevention: Molecular Mechanisms and Clinical Translation
Cancer remains a major global health challenge. Natural compounds, such as curcumin, resveratrol, genistein, thymoquinone, and paclitaxel, show chemopreven
- 13 May 2026
- Published by Springer Nature in The AAPS Journal
- Vol. 28 (3) , 105
Open AccessNanotechnology-enhanced Natural Products for Cancer Chemoprevention: Molecular Mechanisms and Clinical Translation
Cancer remains a major global health challenge. Natural compounds, such as curcumin, resveratrol, genistein, thymoquinone, and paclitaxel, show chemopreven
- 1 March 2026
- Published by Bentham Science Publishers Ltd. in Current Bioactive Compounds
- Vol. 22 (3) , 1-14
Computational Study on Antheraea assamensis Helfer Metabolites: Targeting FGFR, EGFR, mTOR, and VEGFR1 for Cancer Therapy
Aim: Cancer, characterized by uncontrolled cell growth, poses global health challenges, while natural bioactive compounds offer a cost-effective and less toxic alternative by targeting cancer pathways. This current study aims to identify potential bioactive compounds from silk warm pupa and screen their bioactivity against various cancers through in-silico approaches. Background: Cancer, a disease with substantial worldwide health consequences, is driven by the uncontrolled division and spread of cells. A combination of genetics, environmental factors, and personal lifestyle choices influences its development. Cancer remains a significant global health challenge, driving the need for new therapeutic compounds. Antheraea assamensis Helfer, an edible insect, contains bioactive compounds that may provide a natural approach to reducing cancer progression through dietary intake. Rich in proteins, fatty acids, and bioactive compounds, this insect shows promise in its anti-inflammatory and antioxidant properties. Objective: Currently, available cancer medications are often associated with a range of side effects. Plant-derived compounds present a promising alternative for cancer treatment, offering the potential for fewer side effects. This research aims to identify the most effective bioactive lead molecule for future drug development in the fight against various types of cancer. Methods: To evaluate the therapeutic potential of metabolites from Antheraea assamensis Helfer, various in-silico techniques were used. Molecular docking analysis were conducted to assess the binding affinity and stability of the compounds with cancer-related targets such as EGFR, FGFR, VEGFR1, and mTOR, revealing their inhibitory potential. ADMET analysis predicted the pharmacokinetic properties, including absorption, toxicity, and drug-likeness. In contrast, QSAR analysis forecasted the biological activity of the compounds, helping to quantify their effectiveness in triggering specific biological responses. Results: The molecular docking studies showed promising results, with several bioactive compounds from Antheraea assamensis Helfer exhibiting strong binding affinities to EGFR, FGFR, VEGFR1, and mTOR, suggesting significant inhibitory potential against these cancer-related targets. ADMET analysis further supported these findings by indicating favorable pharmacokinetic properties, such as good absorption, low toxicity, and minimal risk of side effects. QSAR analysis predicted high biological activity for the compounds, reinforcing their potential as effective anticancer agents. Conclusion: The study identifies Antheraea assamensis Helfer as a significant source of bioactive agents like 2-(Dimethylamino) ethyl (9Z,12Z)-octadeca-9,12-dienoate, Echinulin, and Phorbol 12-tiglate 13-decanoate, with promising anticancer activity. In-silico analysis indicates these compounds could inhibit key cancer-related targets like EGFR, FGFR, VEGFR1, and mTOR. Further in-vitro and experimental studies are needed to validate their therapeutic efficacy and safety.
- 1 March 2026
- Published by Bentham Science Publishers Ltd. in Current Bioactive Compounds
- Vol. 22 (3) , 1-14
Computational Study on Antheraea assamensis Helfer Metabolites: Targeting FGFR, EGFR, mTOR, and VEGFR1 for Cancer Therapy
Aim: Cancer, characterized by uncontrolled cell growth, poses global health challenges, while natural bioactive compounds offer a cost-effective and less toxic alternative by targeting cancer pathways. This current study aims to identify potential bioactive compounds from silk warm pupa and screen their bioactivity against various cancers through in-silico approaches. Background: Cancer, a disease with substantial worldwide health consequences, is driven by the uncontrolled division and spread of cells. A combination of genetics, environmental factors, and personal lifestyle choices influences its development. Cancer remains a significant global health challenge, driving the need for new therapeutic compounds. Antheraea assamensis Helfer, an edible insect, contains bioactive compounds that may provide a natural approach to reducing cancer progression through dietary intake. Rich in proteins, fatty acids, and bioactive compounds, this insect shows promise in its anti-inflammatory and antioxidant properties. Objective: Currently, available cancer medications are often associated with a range of side effects. Plant-derived compounds present a promising alternative for cancer treatment, offering the potential for fewer side effects. This research aims to identify the most effective bioactive lead molecule for future drug development in the fight against various types of cancer. Methods: To evaluate the therapeutic potential of metabolites from Antheraea assamensis Helfer, various in-silico techniques were used. Molecular docking analysis were conducted to assess the binding affinity and stability of the compounds with cancer-related targets such as EGFR, FGFR, VEGFR1, and mTOR, revealing their inhibitory potential. ADMET analysis predicted the pharmacokinetic properties, including absorption, toxicity, and drug-likeness. In contrast, QSAR analysis forecasted the biological activity of the compounds, helping to quantify their effectiveness in triggering specific biological responses. Results: The molecular docking studies showed promising results, with several bioactive compounds from Antheraea assamensis Helfer exhibiting strong binding affinities to EGFR, FGFR, VEGFR1, and mTOR, suggesting significant inhibitory potential against these cancer-related targets. ADMET analysis further supported these findings by indicating favorable pharmacokinetic properties, such as good absorption, low toxicity, and minimal risk of side effects. QSAR analysis predicted high biological activity for the compounds, reinforcing their potential as effective anticancer agents. Conclusion: The study identifies Antheraea assamensis Helfer as a significant source of bioactive agents like 2-(Dimethylamino) ethyl (9Z,12Z)-octadeca-9,12-dienoate, Echinulin, and Phorbol 12-tiglate 13-decanoate, with promising anticancer activity. In-silico analysis indicates these compounds could inhibit key cancer-related targets like EGFR, FGFR, VEGFR1, and mTOR. Further in-vitro and experimental studies are needed to validate their therapeutic efficacy and safety.
- Open Access
- 3 February 2026
- Published by Scilight Press Pty Ltd in Journal of Medicinal Natural Products
- Vol. 3 (1)
In silico Prediction of Anticancer Potential of Cajanus cajan (L.) Millsp Phytochemicals as Multi-Target Inhibitors of CTNNB1, BRAF, FGFR and EGFR in Hepatocellular Carcinoma (HCC)
Hepatocellular carcinoma (HCC) is the world’s fifth most prevalent malignancy and the second major cause of cancer-related mortality. Although synthetic and plant-based therapies are used to treat a variety of liver illnesses, treatments for HCC are frequently associated with considerable adverse effects as well as drug resistance. Plant-derived natural bioactive compounds, which are known for their low toxicity and protective properties, offer a possibly safer choice for HCC treatment. This study focuses on the most potent plant bioactive compounds for developing new therapeutic alternatives against Hepatocellular carcinoma. A primary phytochemical evaluation was carried out on Cajanus cajan (L.) Millsp., exploring both qualitative and quantitative assays and an analysis of its antioxidant properties using DPPH. Metabolites profiling using LC-MS analysis identified 88 phytochemicals from the methanolic extract of the selected plant as bioactive compounds. The HCC molecular target, such as CTNNB1, was identified through the network analysis and BRAF, FGFR and EGFR, were selected based literature study, and their 3D structures were retrieved from the RCSB Protein Data Bank (PDB, https://www.rcsb.org/ (accessed on 12 November 2025). Ligand structures were retrieved from the NCBI PubChem database (https://pubchem.ncbi.nlm.nih.gov/ (accessed on 12 November 2025) and converted into 3D sdf. format for molecular docking analysis. Molegro Virtual Docker (MVD) 6.0 to evaluate the Molecular docking studies considering the interaction between the selected ligands and HCC targets, and compare with positive controls. Among the compounds evaluated, Cis-Mulberroside A, Asperuloside tetraacetate, Rutin, Biorobin and Cassiaside C showed better binding efficiency with the selected targets compared with the positive controls of respective targets. Among these, Cis-Mulberroside A (also referred to as Mulberroside D), a stilbenoid glycoside, exhibited the highest binding affinity for CTNNB1, BRAF, FGFR and EGFR, outperforming the reference compounds. These results suggest that Mulberroside D holds significant inhibitory potential against critical targets in hepatocellular carcinoma (HCC), particularly CTNNB1, BRAF, FGFR and EGFR, which are crucial in the signaling pathways of HCC progression. Based on the phytochemical analysis along with metabolite profiling, Cis-Mulberroside A, stands most prominent bioactive constituent. The molecular docking scores and hydrogen bonding analysis of the selected targets compared to the respective positive control, Cis-Mulberroside A, revealed as a promising compound and could be a potential bioactive phytoconstituent for a valuable drug lead for future use in hepatocellular carcinoma (HCC).
- 3 February 2026
- Published by Scilight Press Pty Ltd in Journal of Medicinal Natural Products
- Vol. 3 (1)
Open AccessIn silico Prediction of Anticancer Potential of Cajanus cajan (L.) Millsp Phytochemicals as Multi-Target Inhibitors of CTNNB1, BRAF, FGFR and EGFR in Hepatocellular Carcinoma (HCC)
Hepatocellular carcinoma (HCC) is the world’s fifth most prevalent malignancy and the second major cause of cancer-related mortality. Although synthetic and plant-based therapies are used to treat a variety of liver illnesses, treatments for HCC are frequently associated with considerable adverse effects as well as drug resistance. Plant-derived natural bioactive compounds, which are known for their low toxicity and protective properties, offer a possibly safer choice for HCC treatment. This study focuses on the most potent plant bioactive compounds for developing new therapeutic alternatives against Hepatocellular carcinoma. A primary phytochemical evaluation was carried out on Cajanus cajan (L.) Millsp., exploring both qualitative and quantitative assays and an analysis of its antioxidant properties using DPPH. Metabolites profiling using LC-MS analysis identified 88 phytochemicals from the methanolic extract of the selected plant as bioactive compounds. The HCC molecular target, such as CTNNB1, was identified through the network analysis and BRAF, FGFR and EGFR, were selected based literature study, and their 3D structures were retrieved from the RCSB Protein Data Bank (PDB, https://www.rcsb.org/ (accessed on 12 November 2025). Ligand structures were retrieved from the NCBI PubChem database (https://pubchem.ncbi.nlm.nih.gov/ (accessed on 12 November 2025) and converted into 3D sdf. format for molecular docking analysis. Molegro Virtual Docker (MVD) 6.0 to evaluate the Molecular docking studies considering the interaction between the selected ligands and HCC targets, and compare with positive controls. Among the compounds evaluated, Cis-Mulberroside A, Asperuloside tetraacetate, Rutin, Biorobin and Cassiaside C showed better binding efficiency with the selected targets compared with the positive controls of respective targets. Among these, Cis-Mulberroside A (also referred to as Mulberroside D), a stilbenoid glycoside, exhibited the highest binding affinity for CTNNB1, BRAF, FGFR and EGFR, outperforming the reference compounds. These results suggest that Mulberroside D holds significant inhibitory potential against critical targets in hepatocellular carcinoma (HCC), particularly CTNNB1, BRAF, FGFR and EGFR, which are crucial in the signaling pathways of HCC progression. Based on the phytochemical analysis along with metabolite profiling, Cis-Mulberroside A, stands most prominent bioactive constituent. The molecular docking scores and hydrogen bonding analysis of the selected targets compared to the respective positive control, Cis-Mulberroside A, revealed as a promising compound and could be a potential bioactive phytoconstituent for a valuable drug lead for future use in hepatocellular carcinoma (HCC).
- Open Access
- 30 October 2025
- Published by International Academic Publishing House in Journal of Environmental, Pharmaceutical and Sustainability Science
- Vol. 2 (3) , 37-43
Natural Compounds as Promising AMPK Activators: Insights from Molecular Docking with Metformin as Benchmark
Type 2 diabetes (T2D) is a global threat among metabolic disorders, mainly driven by insulin resistance and β-cell dysfunction. AMP-activated protein kinase (AMPK) has emerged as a key regulator of energy balance, making it a crucial therapeutic target for diabetes management. Metformin, the most widely prescribed antidiabetic drug, shows its therapeutic potential via AMPK activation. Although, the indirect mode of action associated with various side effects of metformin highlights the importance of requirements for safer and more effective alternatives. In recent days, natural bioactive compounds have been progressively recognized for their ability to modulate AMPK signalling, which offers potential recompenses over synthetic agents. In this study, five phytocompounds including epigallocatechin gallate (EGCG), chlorogenic acid, aloin, berberine, and aloesin, were selected based on their prior reports of AMPK activation and evaluated using molecular docking against AMPK. Metformin was included as a positive control drug for this study. The docking analysis was carried out using Molegro Virtual Docker (MVD) v6.0, and binding affinities were assessed through MolDock scores and hydrogen bond interactions. The results show that EGCG (−134.44), chlorogenic acid (−132.56), and aloin (−122.54) exhibited significantly stronger binding affinities than metformin (−57.66), suggesting better structural complementarity to the AMPK binding pocket. Although berberine and aloesin showed moderate docking scores, their interactions remain relevant given experimental evidence of AMPK activation. These findings support the hypothesis that natural compounds may serve as more effective AMPK activators than synthetic drugs, emphasizing their ability as potential candidates for next-generation antidiabetic therapeutics.
- 30 October 2025
- Published by International Academic Publishing House in Journal of Environmental, Pharmaceutical and Sustainability Science
- Vol. 2 (3) , 37-43
Open AccessNatural Compounds as Promising AMPK Activators: Insights from Molecular Docking with Metformin as Benchmark
Type 2 diabetes (T2D) is a global threat among metabolic disorders, mainly driven by insulin resistance and β-cell dysfunction. AMP-activated protein kinase (AMPK) has emerged as a key regulator of energy balance, making it a crucial therapeutic target for diabetes management. Metformin, the most widely prescribed antidiabetic drug, shows its therapeutic potential via AMPK activation. Although, the indirect mode of action associated with various side effects of metformin highlights the importance of requirements for safer and more effective alternatives. In recent days, natural bioactive compounds have been progressively recognized for their ability to modulate AMPK signalling, which offers potential recompenses over synthetic agents. In this study, five phytocompounds including epigallocatechin gallate (EGCG), chlorogenic acid, aloin, berberine, and aloesin, were selected based on their prior reports of AMPK activation and evaluated using molecular docking against AMPK. Metformin was included as a positive control drug for this study. The docking analysis was carried out using Molegro Virtual Docker (MVD) v6.0, and binding affinities were assessed through MolDock scores and hydrogen bond interactions. The results show that EGCG (−134.44), chlorogenic acid (−132.56), and aloin (−122.54) exhibited significantly stronger binding affinities than metformin (−57.66), suggesting better structural complementarity to the AMPK binding pocket. Although berberine and aloesin showed moderate docking scores, their interactions remain relevant given experimental evidence of AMPK activation. These findings support the hypothesis that natural compounds may serve as more effective AMPK activators than synthetic drugs, emphasizing their ability as potential candidates for next-generation antidiabetic therapeutics.