Current Issue : January-March Volume : 2017 Issue Number : 1 Articles : 2 Articles
The compound, Discorhabdin C comes under pyrroloiminoquinone alkaloid family was synthesized by the reaction of conversion of aminoindoloquinone imine into its corresponding silylether and the subsequent oxidative coupling reaction using PIFA. Due to their prominent potent antitumor activity, discorhabdins have attracted considerable attention. Many studies have been reported toward the synthesis of discorhabdins. Along with co-crystal ligand, induced fit docking study was carried out for the compound Discorhabdin C for comparison. The oxygen atom of the co-crystal ligand interacts with the oxygen atom of the residue GLU 305 at a distance of 1.7Ã?â?¦ with the docking score of âË?â??7.51 and glide energy of âË?â??69.35 kcal/mol and the nitrogen atom attached with the phenyl ring interacts with the residue (ASN483) at a distance of 2.7 Ã?â?¦ with the glide score of âË?â??7.51 and glide energy of -69.35 kcal/mol and also interacts with same residue at a distance of 2.2Ã?â?¦ of Discorhabdin C. The cancer cell line MCF-7cells were used to check anticancer activity. It showed exponential responses towards the increasing concentration of compound and their IC50 value is 17 Ã?¼g/ml against the MCF-7 cells....
Diabetes mellitus is chronic disorder having high rate of mortality. The currently available antidiabetic drugs target either insulin resistance (metformin, glitazones) or insulin deficiency (sulfonylurea, glinides) but leading to shortfalls in medication. Dipeptidyl peptidase-4 is promising target for development of novel antidiabetic agents. The current advances in computational chemistry and bioinformatics the discovery of selective and safer drugs can be carried out in shorter time frame and with reduced cost. This research article focuses on integration of pocket modelling and pharmacophore modelling to develop the potential DPP-4 inhibitors with good binding affinity and selectivity....
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