Bilal Ahmad Ghalloo

Ficus vasta Forssk. is a valuable but relatively less explored medicinal and edible plant. This study focused on analyzing the biochemical properties, molecular docking, and ADMET profiling of its n-hexane extract (NHFV). Phytochemical screening was performed using GC-MS and total bioactive content assays (TPC, TFC, and TTC). Antioxidant potential (NOS and TAC), antiurease, antityrosinase, and hemolytic activities were also assayed. Molecular docking was performed for GC-MS identified ligands against urease and tyrosinase. ADMET investigation was performed to assess drug-likeness and safety profiles. NHFV showed significant concentration of TPC (48.01 ± 0.73 mg GA.Eq.g^-1), TFC (65.33 ± 0.67 mg QU.Eq.g^-1), and TTC (3.45 ± 0.31 mg TA.Eq.g^-1). GC-MS analysis identified 43 phytochemicals. Antioxidant assays revealed 91.34 ± 0.86 mg AA.Eq.g^-1 NOS and 72.90 ± 0.10 mg AA.Eq.g^-1 TAC activity. The extract showed 4.64 ± 0.08% hemolysis, 60.20 ± 1.39% urease, and 75.61 ± 0.64% tyrosinase inhibition. Docking results revealed Cycloartenol (-8.2 kcal/mol) and Lupeol acetate (-8.3 kcal/mol) as potent inhibitors, surpassing standard agents. NHFV possesses prominent antioxidant, antiulcer, and skin-whitening potential. Molecular docking and ADMET data support its therapeutic relevance and potential for future drug design.

Diabetes can lead to various health complications but can be managed with medication, diet, lifestyle changes, and certain medicinal plants with antidiabetic properties. Octhochloa compressa, a plant native to arid regions with a history of medicinal use, is being comprehensively examined for the first time using in vitro, in silico, and in vivo approaches to evaluate its efficacy in combating diabetes. In vitro α-glucosidase inhibition assays were performed using aqueous, methanol, n-butanol, ethyl acetate, n-hexane, and dichloromethane extracts. The ethyl acetate (EtAc) and methanol (MetOH) extracts showed the strongest inhibition with IC₅₀ values of 190.6 ± 1.19 μg/mL and 281.0 ± 0.98 μg/mL, respectively. In vivo, the anti-diabetic activity of aqueous, MetOH, and EtAc extracts was assessed at 250, 500, and 750 mg/kg body weight in alloxan-induced hyperglycemic rabbits (blood glucose >250 mg/dL). A 30-day study revealed that EtAc extract at 500 mg/kg significantly reduced glucose levels from 328.38 ± 0.86 mg/dL to 121.61 ± 1.28 mg/dL (P < 0.001), along with notable improvements in serum bilirubin, lipid profile, creatinine, ALT, and AST levels compared to the negative control. Histopathological analysis showed no toxic effects on liver, kidney, or adrenal tissues. HPLC analysis of the potent EtAc extract identified bioactive compounds, and in silico docking revealed that tannins, gallic acid, coumarin, oxindole, and xanthone formed stable complexes with α-glucosidase (PDB ID: 3W37), with docking scores of −7.91, −6.59, −6.34, −6.33, and −6.07 kcal/mol, respectively. These findings suggest that O. compressa contains active compounds with significant anti-diabetic properties and minimal toxicity, making it a promising candidate for diabetes management and its complications. Future research should isolate and characterize key bioactive compounds and validate their mechanisms, safety, and clinical efficacy to advance O. compressa as a potential antidiabetic therapy.

Many Ruellia species have been utilized in traditional medicine and despite the prevalent use of Ruellia tweediana in folk medicine, its antioxidant potential and polyphenol content have not been investigated. Therefore, the present study aimed to explore the medicinal value of R. tweediana by evaluating its total phenolic (TPC) and flavonoid contents (TFC), GC–MS analysis, antioxidant, antibacterial, and enzyme inhibition activities. The TPC and TFC of the extract/fractions were assessed using the Folin-Ciocalteu and aluminum trichloride methods, respectively. To determine the antioxidant capacity, five different assays were used: DPPH, ABTS , CUPRAC, FRAP, and metal chelating assays. The inhibition activity against α-glucosidase, α-amylase, cholinesterases, and lipoxygenase enzymes was also analyzed. Furthermore, GC–MS was performed for chemical screening of non-polar fraction. The methanol extract showed the maximum TPC (167.34 ± 2.23 mg GAE/g) and TFC (120.43 ± 1.71 mg RE/g) values among all the tested samples. GC–MS screening of the n-hexane fraction showed the presence of 40 different phytoconstituents. The results demonstrated the highest scavenging potential of the methanol extract against DPPH (167.79 ± 2.75 mg TE/g) and ABTS (255.32 ± 2.91 mg TE/g) radicals, as well as the metal-reducing capacity measured by CUPRAC (321.34 ± 3.09 mg TE/g), FRAP (311.32 ± 2.91 mg TE/g), and metal chelating assay (246.78 ± 10.34 mg EDTAE/g). Notably, the n-hexane fraction revealed the highest α-glucosidase and α-amylase inhibition activity (186.8 ± 2.84 and 179.7 ± 4.32 mg ACAE/g, respectively) while methanol extract showed highest acetylcholinesterase and butyrylcholinesterase inhibition activity (198.6 ± 3.31 and 184.3 ± 2.92 mg GALE/g, respectively). The GC–MS identified Lupeol showed best binding affinity with all docked enzymes as compared to standard compounds. The presence of bioactive phytoconstituents showed by GC–MS underscores the medicinal importance of R. tweediana, making it a promising candidate for natural medicine.

On which basis these four plants are selected from their respective families for the study? For antibacterial study, there should be MIC or IC50 values. Only zone of inhibition does not give the clear idea. The discussion is weak. The results shoul...

The objective of the study is to evaluate the chemical characterisation, and biological and in silico potential of Haloxylon stocksii (Boiss.) Benth, an important halophyte commonly used in traditional medicine. The research focuses on the roots and aerial parts of the plant and extracts them using two solvents: methanol and dichloromethane. Chemical characterisation of the extracts was carried out using total phenolic contents quantification, GC-MS analysis, and LC-MS screening. The results exhibited that the aerial parts of the plant have significantly higher total phenolic content than the roots. The GC-MS and LC-MS analysis of the plant extracts revealed the identification of 18 bioactive compounds in each. The biological evaluation was performed using antioxidant, antibacterial, and in vitro antidiabetic assays. The results exhibited that the aerial parts of the plant have higher antioxidant and in vitro antidiabetic activity than the roots. Additionally, the aerial parts of the plant were most effective against Gram-positive bacteria. Molecular docking was done to evaluate the binding affinity (BA) of the bioactive compounds characterised by GC-MS with diabetic enzymes used in the in vitro assay. The results showed that the BA of γ-sitosterol was better than that of acarbose, which is used as a standard in the in vitro assay. Overall, this study suggests that the extract from aerial parts of H. stocksii using methanol as a solvent have better potential as a new medicinal plant and can provide a new aspect to develop more potent medications. The research findings contribute to the scientific data of the medicinal properties of Haloxylon stocksii and provide a basis for further evaluation of its potential as a natural remedy.

Verbena officinalis L. is a traditionally important medicinal herb that has a rich source of bioactive phytoconstituents with biological benefits. The objective of this study was to assess the metabolic profile and in vitro biological potential of V. officinalis. The bioactive phytoconstituents were evaluated by preliminary phytochemical studies, estimation of polyphenolic contents, and gas chromatography-mass spectrometry (GC-MS) analysis of all fractions (crude methanolic, n-hexane, ethyl acetate, and n-butanol) of V. officinalis. The biological investigation was performed by different assays including antioxidant assays (DPPH, ABTS, CUPRAC, and FRAP), enzyme inhibition assays (urease and α-glucosidase), and hemolytic activity. The ethyl acetate extract had the maximum concentration of total phenolic and total flavonoid contents (394.30 ± 1.09 mg GAE·g⁻¹ DE and 137.35 ± 0.94 mg QE·g⁻¹ DE, respectively). Significant antioxidant potential was observed in all fractions by all four antioxidant methods. Maximum urease inhibitory activity in terms of IC₅₀ value was shown by ethyl acetate fraction (10 ± 1.60 µg mL⁻¹) in comparison to standard hydroxy urea (9.8 ± 1.20 µg·mL⁻¹). The n-hexane extract showed good α-glucosidase inhibitory efficacy (420 ± 20 µg·mL⁻¹) as compared to other extract/fractions. Minimum hemolytic activity was found in crude methanolic fraction (6.5 ± 0.94%) in comparison to positive standard Triton X-100 (93.5 ± 0.48%). The GC-MS analysis of all extract/fractions of V. officinalis including crude methanolic, n-hexane, ethyl acetate, and n-butanol fractions, resulted in the identification of 24, 56, 25, and 9 bioactive compounds, respectively, with 80% quality index. Furthermore, the bioactive compounds identified by GC-MS were analyzed using in silico molecular docking studies to determine the binding affinity between ligands and enzymes (urease and α-glucosidase). In conclusion, V. officinalis possesses multiple therapeutical potentials, and further research is needed to explore its use in the treatment of chronic diseases.