In silico, molecular docking and in vitro bioactivity of compounds extracted from marine Streptomyces sp. VITND1

Marine actinobacteria continues to represent an important route to the discovery of novel metabolites for the development of therapeutics in health care sectors. Most of the secondary metabolites produced from marine Streptomyces sp. exhibited broad-spectrum activity against many diseases. The study’s main aim was to evaluate the bioactive potential of actinomycetes isolated from marine soil samples obtained from the Southeast coast of Tamil Nadu, India. The potent marine actinomycete VITND1 was identified as Streptomyces sp. based on morphological and biochemical characterization. The Streptomyces sp. VITND1 strain was screened using the cross-streak assay method against five bacterial pathogens. GC-MS analysis was done to identify the bioactive compounds. Further, the identified bioactive compounds were analyzed by molecular docking. The crude extract of VITND1 exhibited susceptibility against Pseudomonas aeruginosa with a 19.6 ± 0.16 mm zone of inhibition at 1000 µg/mL. The extract exhibited a significant 72% antioxidant activity, 56% anti-inflammatory activity and 91% anti-diabetic activity. GC-MS analysis of VIT ND1 crude extract confirmed the presence of 49 different bioactive compounds. Among these, 15 compounds were identified as active and further subjected to molecular docking analysis. The study confirmed the potential bioactive compounds (Pub Chem CID: 4916205, 542106, and 101687) for further therapeutic use. The extracts from Streptomyces sp. VITND1 have various bioactivities, including anti-bacterial, anti-oxidant, anti-inflammatory and anti-diabetic properties. The bioactive compounds Molecule 1 (4916205); Molecule 10 (542106) and Molecule 6 (101687) showed promising binding affinity towards receptor protein targets in the molecular docking studies.