Bioactive Furan Derivatives from Streptomyces sp. VITGV100: Insights from In silico Docking and ADMET Profiling

Streptomyces species have complex genomes, including various biosynthetic gene clusters, frequently responsible for producing antibacterial and bioactive secondary metabolites under certain environmental conditions. To assess the impact of Magnesium and Iron on Streptomyces sp. VITGV100 secondary metabolite production and bioactivity, including molecular docking studies to predict their therapeutic potential.

Streptomyces sp. VITGV100 was grown in a nutrient broth supplemented with Magnesium and Iron elicitors. The secondary metabolites were analyzed for antioxidant activity via 2,2-diphenyl- 1-picrylhydrazyl radical scavenging activity, antimicrobial activity against Escherichia coli and Bacillus subtilis, and molecular docking studies of selected compounds.

Magnesium and Iron supplementation elevated the production of metabolites with antioxidant activity (90% scavenging, IC50 value 0.025 mg/ml) at 6 mg/ml of Magnesium, and antimicrobial properties show the highest inhibition zone of 23 mm against Escherichia coli. Statistical analysis showed significant differences (p < 0.05) through two-way ANOVA. Docking study revealed substantial binding energy, supported by favorable Chemical Absorption, Distribution, Metabolism, Excretion, and Toxicity profiles.

Magnesium and iron elicitation in Streptomyces sp. VITGV100 significantly enhances its antioxidant and antibacterial capabilities. Strong bioactivity and in-silico study confirmed. Although results lack in vivo efficacy and mechanistic insights, they are consistent with previous studies on trace element-induced metabolite synthesis. Clinical evaluations and mechanistic investigations of the discovered bioactive compounds should be prioritized.

Magnesium and Iron significantly improve the synthesis of bioactive compounds in Streptomyces sp. VITGV100, showing strong antioxidant and antimicrobial activities of these metabolites, combined with promising docking and ADMET profiles, shows promising therapeutic potential.