Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?
The binding mode of piperazine derivatives with HIV-1 gp120 was predicted. Impact of their conformational flexibility in their anti-HIV activity was inquired. Results suggested their flexibility is more important than it has been assumed.
conformational flexibility piperazine derivatives hiv-1 gp120 bms-378806 docking and molecular dynamics