Docking and ADMET studies for investigating the anticancer potency of Moscatilin on APC10/DOC1 and PKM2 against five clinical drugs.

Ipsita Pujari Ritobrata Sengupta Vidhu Sankar Babu

Published in: Journal, genetic engineering & biotechnology (2021)

The study demonstrates that Moscatilin is has a multi-antimetastatic function. Moscatilin interaction with APC10/DOC1 indicated that the drug is involved with post-replicative inhibition, and with PKM2 showed glycolytic pathway inhibition in cancer cells. Moscatilin can function as an effective cell cycle inhibitor.

Keyphrases

cell cycle
cell proliferation
molecular dynamics
molecular dynamics simulations
molecular docking
emergency department
drug induced
protein protein
small molecule
case control