Uday M. Muddapur

Glycyrrhiza glabra ( G. glabra) root is traditionally known for its wide-ranging pharmacological properties, including antimicrobial, anti-inflammatory, hepatoprotective, and immunomodulatory effects. This study aims to explore the anxiolytic potential of G. glabra root decoction. Using LC-MS, seven major phytocompounds such as N-acetylalanine, primuliten, 8-hydroxy-13,14,15,16-tetranor-12-labdanoic acid, gardnerine, abrine canrenoic acid, and aspterric acid were identified from the G. glabra decoction. These compounds were further evaluated through ADME profiling and network pharmacology to assess their drug-likeness and pharmacokinetic properties using the SWISS ADME platform. Among the identified compounds, the bioactive compound canrenoic acid was found to be investigated for the direct modulation of ion channels in the brain contributing to central nervous system (CNS) pharmacology, and for the regulation of CNS stress responses, which can modulate anxiety-related behaviours. Canrenoic acid (PubChem CID: 656615) demonstrated promising interactions with the anxiety-related protein target PDB ID:7E2Y. Molecular dynamics (MD) simulations were conducted over a 100-nanosecond trajectory to analyze the stability of the Canrenoic acid–7E2Y complex. The simulation results revealed minimal conformational fluctuations, with the ligand maintaining a stable binding pose through hydrophobic interactions and hydrogen bonding. root mean square deviation (RMSD), root mean square fluctuation (RMSF), secondary structure evolution, and protein-ligand interaction analyses confirmed the robustness of the complex. In addition, in vivo testing using the elevated plus maze (EPM) was performed in rats to evaluate the anxiolytic effects of four different extracts at two dose levels (100 mg/kg and 200 mg/kg), compared to a standard treatment group (diazepam 2 mg/kg). The G. glabra decoction exhibited significant anxiolytic activity. Rats treated with 200 mg/kg of G. glabra showed a marked increase in both the number of entries into the open arms (3.33 ± 0.21) and the time spent in the open arms (43.83 ± 0.79 seconds), closely mirroring the effects observed with the standard drug diazepam. These findings suggest that canrenoic acid is a promising candidate for further preclinical and clinical evaluation in the treatment of anxiety disorders.

Objective: Porphyromonas gingivalis is a major periodontal pathogen periodontitis, with virulence mediated by fimbriae and gingipains. Differences in virulence may influence disease severity. This study aimed to assess the association and co‐occurrence of fimbriae and gingipain genotypes and their relationship with clinical severity in periodontitis. Materials and Methods: This secondary analysis included 120 subgingival plaque samples from patients with periodontitis. Fimbriae ( fimA types I–V) and gingipain ( kgp , rgpA ) genotypes were identified using PCR and restriction enzyme digestion, and P. gingivalis load was quantified by real‐time PCR. Associations between genotypes and clinical parameters (probing depth and clinical attachment loss) were evaluated using Spearman’s correlation and chi‐square tests. Binary logistic regression assessed the association between periodontal disease severity and the presence of a combined virulence genotype, reported as odds ratios (ORs). Results: The fimA types II and III and gingipain genotypes kgp-I and kgp-II were significantly associated with deeper PD and greater CAL ( p < 0.05). fimA type II was the most prevalent across all bacterial load percentiles, followed by type IV. kgp-I and rgpA type A were correlated with higher P. gingivalis counts. Significant positive correlations were observed between fimbriae and gingipain genotypes ( p < 0.05). Patients with CAL ≥5 mm had significantly higher odds of harboring the combined virulence genotype than those with CAL p = 0.011). Conclusion: Specific fimbriae and gingipain genotypes co‐occur and are linked to increased bacterial load suggesting synergistic roles in the pathogenicity of P. gingivalis . The findings support the hypothesis that these virulence factors act synergistically to influence disease severity. Clinical Relevance: The integration of microbial virulence profiling with host immune response characterization may improve risk stratification and enable the development of personalized periodontal care strategies. Furthermore, microbial genotypic profiling may support the identification of disease‐specific targets, thereby facilitating the implementation of tailored therapeutic interventions for effective periodontitis management.

This study demonstrates the green synthesis, characterization, and biomedical applications of zinc oxide nanoparticles (ZnONPs) using Zingiber officinale (Z. officinale) (ginger) peel extract. Green synthesis offers advantages over conventional methods, including environmental friendliness, cost-effectiveness, and enhanced biocompatibility. Ultraviolet-Visible (UV-Vis) spectroscopy confirmed ZnONPs formation with a peak at 364 nm. Fourier-Transform Infrared (FTIR) spectroscopy analysis revealed characteristic peaks indicating functional groups involved in nanoparticle formation. Scanning Electron Microscope (SEM) analysis showed spherical/agglomerated nanoparticles, and Energy-Dispersive X-ray Spectroscopy (EDS) confirmed 77.7% zinc oxide by mass%. The X-ray Diffraction (XRD) indicated an average particle size of 24.67 nm with distinct crystal orientations. Phytochemical analysis detected alkaloids, saponins, and steroids in the extract. Optimal synthesis occurred at 50–60°C and pH 10, yielding stable ZnONPs. The ZnONPs exhibited significant antibacterial activity against Staphylococcus aureus (S. aureus), Bacillus subtilis (B. subtilis), Bacillus cereus (B. cereus), Escherichia coli (E.coli), Zymomonas mobilis (Z. mobilis) , and Pseudomonas aeruginosa (P. aeruginosa) , as well as antifungal activity against Candida albicans (C. albicans) . The in vitro cytotoxicity study on M.D. Anderson – Metastatic Breast – 231 (MDA-MB-231) breast cancer cells showed a dose-dependent reduction in cell viability [Half-maximal Inhibitory Concentration (IC ₅₀ ) = 82.13 µg/mL] with notable morphological changes at higher concentrations. The ZnONPs synthesized from ginger peel extract are innovative, environmentally friendly, and economical. Our findings show that biologically generated ZnONPs are effective antibacterial and antifungal agents against several pathogens. This research uniquely demonstrates the potential of ginger peel, a commonly discarded agro-waste, as a sustainable source for ZnONPs synthesis, highlighting its biotechnological and medicinal applications. The novelty of this study lies in the green synthesis approach using ginger peel and the comprehensive evaluation of its antimicrobial and anticancer properties. Further in-depth studies and optimization are needed to validate their therapeutic efficacy and safety.

Gibberellic acid (GA) can be produced sustainably using Zea mays L. (maize) leaves as a substrate for microbial fermentation. Maize leaves, when utilized through eco-friendly practices, contribute to waste reduction and reinforce circular agricultural systems. In this study, maize leaves served as a source for isolating fungal and bacterial strains, which were subsequently screened for their ability to produce GA. Bacterial cultures exhibiting high GA synthesis potential were selected for further optimization. In GA1 media, one-factor-at-a-time (OFAT) experiments evaluated key nutrients and GA production. To maximize GA yield, a Box-Behnken design (BBD) was used in 15 experimental runs to optimize dextrose, peptone, and MgSO₄ concentrations. Peak GA production occurred after 3 days of incubation at optimal conditions of 2% dextrose, 3% peptone, and 0.8% MgSO₄. To identify active producers, microbial strains were identified. A 24 h bacterial growth curve analysis tracked GA concentration to confirm production trends. The zinc acetate method and UV detection allowed accurate broth GA spectrophotometric quantification. GA bioactivity was tested on paddy crops in germination assays, showing promising applications for crop growth and yield under sustainable agricultural practices. The ANN model moderately predicted GA concentration with a rescaled MAE of 3.97 μg/mL, covering 10–15% of the dataset range (19.4–53). The ANN accurately predicted GA concentration, but the error margins were moderate. Linear regression outperformed ANN and decision tree models, achieving nearly perfect fit (R² = 0.9999). GA yield was primarily affected by absorbance, followed by dextrose and MgSO₄ concentrations, and minimally by peptone. This study shows an effective GA bioprocess with environmental and agricultural benefits. Further testing showed that UMM2 produced enzyme lyases like cellulases and amylases. BBD optimization with renewable resources makes GA production scalable and sustainable, making it useful for agronomic applications and environmentally friendly GA synthesis. It also opens avenues for its potential translational application in biomedical and plant-derived therapeutics.

Introduction: Nanotechnology is an innovative approach that involves the development, production, and application of materials via altering their shape and size on the nanometer scale, which ranges from 1 to 100 nm. Zinc Oxide Nanoparticles (ZnONPs) are metal-oxide nanomaterials with distinct physical and chemical properties that make them valuable and adaptable inorganic compounds.Methods: The C. revoluta extract was subjected to comprehensive phytochemical analysis, and showed presence of triterpenoids, alkaloids, saponins, steroids, resins, diterpenes, and coumarins. The ZnONPs synthesized using C. revoluta extract were optimized by synthesizing zinc nanoparticles at different temperatures and pH. The synthesis of ZnONPs was determined by the UV–Vis spectrophotometry, with the absorbed peak being observed at 364 nm. The characterization of ZnONPs was performed with XRD, FTIR, SEM, TEM, and EDX analysis.Results: The surface morphology of the ZnONPs was analyzed using SEM, which revealed their spherical nature and particle size was determined to be 30 nm. Significant peaks were observed in the XRD pattern, confirming their sphere-like structure. FTIR spectra were recorded to determine the groups of biomolecules involved in synthesis. ZnONPs’ antibacterial efficacy against gram + ve and gram -ve bacteria, were positive. The ZnONPs demonstrated significant cytotoxic activity against TNBC MDAMB-231 cell line with an IC₅₀ of 58.39 μg/mL. The percentage DPPH radical scavenging activity was 72.36% at 100 μg/mL concentration. Furthermore, ZnONPs showed significant (p < 0.001) wound healing characteristics in the excision wound model in rats with 99.29% wound contraction on treatment Day 16.Discussion: The ZnONPs showed increased cell migration potential in the in vitro scratch assay, highlighting their potential for wound care and tissue regeneration applications. In future, more in-depth research and clinical evaluation are warranted to fully explore the therapeutic potential of these environmentally friendly ZnONPs.

Kyasanur Forest Disease Virus (KFDV) poses a significant public health threat due to the limited efficacy of existing vaccines, necessitating the development of effective antiviral therapeutics. The nonstructural protein 5 (NS5), essential for viral RNA synthesis and methylation, serves as a promising drug target. This study employs computational approaches to identify and evaluate potential NS5 inhibitors that may contribute to the development of antiviral compounds against KFDV. The 3D structure of NS5 was predicted using Robetta, SwissModel, and I-TASSER, with the Robetta model (ERRAT score: 96.40) selected for energy minimization. The globally minimized structure, obtained at 49.58 ns, had a potential energy of −416966.82 kcal/mol and was used for further studies. Active site residues were identified using template-based and structure-based methods (COACH-D, CASTp, PrankWeb) and were located within polymerase motif (A-G) of NS5 protein (residues 273−903 aa), which are essential for polymerase function, RNA synthesis, and viral replication. A total of 1523 compounds were identified using de novo, template-based design, pharmacophore modeling, and ligand screening. Virtual screening with PyRx 0.8 yielded 34 promising compounds, of which 11 were selected based on molecular docking (AutoDock 4.0) with binding energies of −8.86 kcal/mol (FDA-approved dasabuvir -L1), −8.28 kcal/mol (CNPO331352.1-L2), −7.94 kcal/mol (ZINC00103114410- L3), and −7.61 kcal/mol (CNPO202263.1-L4). MD simulations in triplicates under physiological conditions confirmed stability. with MM-GBSA binding free energy values of −52.28 ± 2.91 kcal/mol (NS5-Dasabuvur L1complex), −46.82 ± 4.31 kcal/mol (NS5-L2 complex), −50.72 ± 6.36 kcal/mol (NS5-L3 complex), and −57.03 ± 4.31 kcal/mol (NS5-L4 complex). The computational analysis suggests that compounds L2 and L4 have strong binding affinities comparable to dasabuvir (L1), indicating their potential as inhibitors of the KFDV NS5 protein. Further validation through in vitro assays would complement these in silico findings. These results provide a foundation for future drug development against KFDV, emphasizing the need for continued exploration of antiviral therapeutics.

The Asian Journal of Pharmaceutics is a peer-reviewed open-access medical journal published by Medknow Publications on behalf of the B.R. Nahata Smriti Sansthan (Memorial Trust) (Mandsaur, India). Articles address topics in pharmaceutics, biopharmaceutics, pharmaceutical chemistry, pharmacognosy, pharmacology, pharmaceutical analysis, pharmacy practice, and clinical and hospital pharmacy.

Introduction: Zinc oxide nanoparticles (ZnONPs) have been the subject of substantial research by virtue of their utility across extensive downstream applications. Moreover, the ZnONPs are inexpensive, reliable, and easy to produce. Green synthesis employing biological systems, particularly plant extracts, has arisen as a subject of study in nanotechnology and is gaining importance due to its multiple applications in biology, chemistry, physics, and medicine. Methods: Aqueous extract of S. obvallata was prepared and ZnONPs were synthesised using zinc acetate as a substrate. UV-Vis spectrophotometric measurement confirmed the production of ZnONPs. The ZnONPs were characterized by employing SEM, EDS, XRD, and FTIR. The ZnONPs were screened for its antimicrobial and wound healing potential. Results: The peak of absorbance for UV-Vis was observed at 370 nm. The average dimension of the particles was found to be 22.58 nm. The antibacterial activity of ZnONPs was efficient in countering a broad spectrum of bacteria and the fungi C. albicans. The results of in vitro and in vivo wound healing assays indicate that the ZnONPs possess potent wound healing potential. In the cell migration assay, the percentage of wound closure was observed to be 84.70% (p < 0.001) for ZnONPs compared to the untreated group (8.12%). In the excision wound healing rat model, the animals treated with ZnONPs and Povidone-Iodine showed a significant (p < 0.01) wound contraction in comparison to the untreated animals. Discussion: The ZnONPs promoted wound healing processes and showed promise as a therapeutic agent. However, further research is needed to understand the mechanisms of action and evaluate the long-term safety and effectiveness of ZnONPs in wound healing applications. By using renewable biological materials, the green synthesis of ZnONPs minimizes the need for synthetic reagents and lowers the total carbon footprint related to the production of nanoparticles.

The limitations of the current vaccination strategy for the Kyasanur Forest Disease virus (KFDV) underscore the critical need for effective antiviral treatments, highlighting the crucial importance of exploring novel therapeutic approaches through in silico drug design. Kyasanur Forest Disease, caused by KFDV, is a tick-borne disease with a mortality of 3–5% and an annual incidence of 400 to 500 cases. In the early stage of infection, the envelope protein plays a crucial role by facilitating host–virus interactions. The objective of this research is to develop effective antivirals targeting the envelope protein to disrupt the virus–host interaction. In line with this, the 3D structure of the envelope protein was modeled and refined through molecular modeling techniques, and subsequently, ligands were designed via de novo design and pharmacophore screening, yielding 12 potential hits followed by ADMET analysis. The top five candidates underwent geometry optimization and molecular docking. Notably, compounds L4 (SA28) and L3 (CNP0247967) are predicted to have significant binding affinities of −8.91 and −7.58 kcal/mol, respectively, toward the envelope protein, based on computational models. Both compounds demonstrated stability during 200 ns molecular dynamics simulations, and the MM-GBSA binding free-energy values were −85.26 ± 4.63 kcal/mol and −66.60 ± 2.92 kcal/mol for the envelope protein L3 and L4 complexes, respectively. Based on the computational prediction, it is suggested that both compounds have potential as drug candidates for controlling host–virus interactions by targeting the envelope protein. Further validation through in-vitro assays would complement the findings of the present in silico investigations.