Abstract

MOLECULAR DOCKING STUDIES AND THEORETICAL INVESTIGATION OF ANTI-HIV ACTIVITY OF SOME SUCCINIC ACID DERIVATIVES

*K.K.Srivastava, Shubha Srivastava, Md. Tanweer Alam, Rituraj

ABSTRACT

In quest of cheap anti HIV drugs, molecular docking studies with HIV-1RT (PDB ID 1FK9) were carried out using certain succinic acid derivatives. One of the derivatives-2-(diphenylmethylene)succinic acid was found to have binding energy and docking pattern comparable to the originally docked efavirenz molecule. This molecule has been predicted theoretically to be non-toxic. Five drug molecules similar in druggability to this molecule , but used in other diseases , were identified and their molecular docking results on 1FK9 have also been reported .

Keywords: Molecular docking, HIV-1RT,1FK9, succinic derivatives, quick prop, druggability.