Cyanobacteria are a great source of a wide variety of bioactive substances. The present study reports an anticancer bioactive compound from cyanobacterium Nostoc sp., Lyngbya sp., and Phormidium sp. using GC-MS analysis. The extracted samples were processed with JEOL GCMATE II with high resolution data system. The micro algal compounds (Strigol, Allyl-(2-methylphenyl)-sulfide, Flavone, Octonic acid, Ethyl iso-allocholate, Quinazolin and Quinolin) are characterized by GC-MS. Further, retrieve the required target protein (VEGF: 2VPF) from the RCSB protein data bank as a PDB file and the marine algal compounds were scrutinized through molecular docking and ADMET risk assessment. There were a total of seven compounds found, which were further examined for Log P, oral bioavailability, synthetic accessibility, lead-likeness and alarms for PAINS & Brenk. In addition, the compliance of the pharmacokinetics of the metabolites of particular medications was investigated. Our study provides the greatest illustration of a computationally driven tool for selection and finding new drug with high therapeutic windows and a binding energy of Flavone -5. 44 kcal/mol for VEGF receptor affinity. The SWISS ADME and admet SAR were used to evaluate the ADMET parameters.
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2022: 6.012
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