Molecular Docking Studies of potential anticancer agents from Ocimum basilicum L. against human colorectal cancer regulating genes: An insilico approach

The major group of secondary metabolites like terpenoids, alkaloids, phenolics, and flavonoids have been reported for therapeutic activity like anticancer, anti-microbial, anti-diabetic, and anti-oxidant etc., and there are thousands of research evidence for the bioactivity of drugs from the plants[5]. Finding the active ingredient/s (AI) from the plant is a tedious task, rational drug design (RDD) provides an alternative choice; but it involves in a number of methods, among that docking is one of the best methods because of the process of fitting of receptor and ligand in 3D space and finding the active site in it[7]. All the retrieved chemical constituents were evaluated to determine its ability to interact with colorectal cancer mutant codon genes namely KRAS, NRAS, BRAF (Oncogenes), PIK3CA, P53, DCC (Tumor suppressor genes) in respect to high affinity using Autodock 4.2 software. BRAF- V600E codon mutant (oncogene) highly inactivated by all the chemical constituents with strong binding affinities. [...]all the chemical constituents have good binding energies against CRC mutant type genes.