Methodologies for in silico and in vitro Test of Biphenylalanine Compounds as Potential HIV-1 gp120 Attachment Inhibitors

Abstract

We postulate that biphenylalanine and its derivatives are propitious candidates to inhibit the binding of HIV-gp120 to CD4 T-cell. Many biphenylalanine derivatives are synthesized chemically and also prevailing in nature. We have proposed atom- and bond-based 2D TOMOCOMD-CARDD approach to identify the best derivative. Moreover, according to our proposition, the principal law simulated from in silico interaction of gp120 with CD4 can be tested by ELISA in vitro. Furthermore, the toxicity of biphenylalanine compounds might be evaluated using MTT cytotoxicity test kits for future development of attachment inhibitors in vivo. It will be a novel idea to determine the efficacy of biphenylalanine compounds as a drug. To determine, in advance the possible stable mutation forms (all mutations are not stable) around the apolar ‘Phe43 cavity’ on gp120 and predict the next generation drugs against these mutations we opine to develop a discriminated function of local (amino acid-type) linear indices of the “macromolecular pseudograph’s α-carbon atom adjacency matrix”- that permits the classification of mutants as near wild type stability or reduced stability. To sum up, the consummate biphenylalanine substances will likely to be an ace in a hole for millions of people worldwide.

Keywords: Biphenylalanine compounds, HIV-1 gp120, CD4 T-cell, HIV

Cite this Article

Al-Mujahidy SK. Md. Jakaria. Methodologies for in silico and in vitro test of biphenylalanine compounds as potential HIV-1 gp120 attachment inhibitors. Research & Reviews: A Journal of Bioinformatics. 2015; 2(3): 38–42p.