Molecular simulations required to target novel and potent inhibitors of cancer invasion
T Lu, T Li, MK Wu, CC Zheng, XM He… - Expert Opinion on …, 2023 - Taylor & Francis
Introduction Computer-aided drug design (CADD) is a computational approach used to
discover, develop, and analyze drugs and active molecules with similar biochemical …
discover, develop, and analyze drugs and active molecules with similar biochemical …
mPGES-1 inhibitor discovery based on computer-aided screening: pharmacophore models, molecular docking, ADMET, and MD simulations
Q Huang, T Lai, Q Wang, L Luo - Molecules, 2023 - mdpi.com
mPGES-1 is an enzyme, which, when activated by inflammatory factors, can cause
prostaglandin E synthesis. Traditional non-steroidal anti-inflammatory drugs are capable of …
prostaglandin E synthesis. Traditional non-steroidal anti-inflammatory drugs are capable of …