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.
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