Identifying natural products for gastric cancer treatment through pharmacophore creation, 3D QSAR, virtual screening, and molecular dynamics studies.

Zeinab JalaliSamad Nejad EbrahimiHassan Rezadoost

Published in: Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences (2023)

These selected lead compounds have the most anti-gastric cancer effects among the 183,885 compounds in the database. Therefore, lead compounds might be considered for gastric cancer therapy in future studies.

Keyphrases

molecular dynamics
cancer therapy
density functional theory

case control
molecular docking

drug delivery
emergency department

current status
smoking cessation