抗ウイルス薬および抗レトロウイルス薬ジャーナル
オープンアクセス

概要

Computational Approach Towards Designing Potential HIV Inhibitors

Prajakt P. Pande

It is imperative to continue efforts to identify novel effective therapies that can assist in containing the spread of HIV. Recently acquired knowledge about the HIV entry process points to new strategies to block viral entry. For most HIV strains, the successful infection of their target cells is mainly dependent on the presence of the CD4 surface molecule, which serves as the primary virus receptor. The attachment of the viral envelope to this cellular CD4 receptor can be considered as an ideal target with multiple windows of opportunity for therapeutic intervention. Therefore, drugs that interfere with the CD4 receptor, and thus inhibit viral entry, may be promising agents for the treatment of AIDS. The CD4-targeted HIV entry inhibitors Cyclotriazadisulfonamides represent a novel class of small molecule antiviral agents with a unique mode of action. The lead compound, CADA, specifically interacts with the cellularCD4receptor and is active against a wide variety of HIV strains. CADA may also act synergistically in combination with other anti-HIV drugs. This work includes study of interaction between CADA and CD4, mode of inhibition of CD4, designing a better drug against HIV also with antibacterial activity adding value to the entry inhibitor.