Synthesis, characterization, biological and molecular docking studies of (Z)-N-substituted-4-(pyridin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

Title : Synthesis, characterization, biological and molecular docking studies of (Z)-N-substituted-4-(pyridin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

Abstract:

A series of fifteen (Z)-N-substituted-4-(pyridin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine, was designed, screened computationally and synthesized. Structures of the compounds (1-15) were elucidated using spectroscopic methods like FT-IR, NMR (¹H & ¹³C), and mass spectroscopy. The compounds were tested for antibacterial and antifungal potential and represented significant antibacterial and antifungal potential. The compounds were also studied for cytotoxicity in terms of percent viability of cells against HepG2 cells and found to be in the range of 70-80 % up to 100 µM. The molecular docking was also carried out to observe the formation of H-bond and binding affinities against the receptor GlcN-6P and observed that only the amino acid residues like GLU315, SER316, ASP474, ALA520, and ASN522 were able to form the H-bond with compounds with binding affinity (-8.5 to -6.7 kcal/mole).

Biography:

Dr. Mohammad Arshad, has been awarded the Ph. D degree in January 2014 on the thesis entitled “Novel heterocyclic compounds as potential therapeutic agents: Synthesis and Characterization” from Jamia Millia Islamia, India. He has published more than 50 research article and presented his work in various National/ International seminars and conferences. He has been awarded national fellowships from University Grant Commission, Govt of India and Council for Scientific and Industrial Research, Govt of India. He has acted as Principal Investigator on some project granted by Shaqra University, Saudi Arabia. Currently, he is working as an Assistant Professor (Chemistry) at Shaqra University, KSA.