Acta Scientific Pharmaceutical Sciences

Research ArticleVolume 2 Issue 5

Pyrazolic Chalcone Derivatives Targeting Cyclin Dependant Kinase: In-Silico Molecular Docking, ADME and Druglikeness Studies

Vikas Mehta, Monika, Akanksha, Richa, Renu Chadha and Neelima Dhingra*

University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, India

*Corresponding Author: Neelima Dhingra, Assistant Professor, Department of Pharmaceutical Chemistry, University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, India.

Received: February 12, 2018; Published: April 09, 2018

Citation: Neelima Dhingra., et al. “Pyrazolic Chalcone Derivatives Targeting Cyclin Dependant Kinase: In-Silico Molecular Docking, ADME and Druglikeness Studies". Acta Scientific Pharmaceutical Sciences 2.5 (2018).

Abstract

  Pharmaceutical research has successfully incorporated a wealth of molecular modelling methods, within a variety of drug discovery programs, to study complex biological and chemical system. A series of derivative with pyrazolic chalcone moiety has been studied for the anticancer activity i.e. hepatocellular carcinoma. In the present study molecular docking has been performed on 1,3-diaryl-2-propen-1-ones, naturally derived flavonoids, to identify the key structural features for binding with cyclin dependant kinase receptor. Studies revealed that residues LYS89A, LYS33A are playing a key role in determining the affinity of the active inhibitors through hydrogen bonding. Further drug like properties were evaluated using preADMET tool version 2.0 and values were found to be in ranges predicted by preADMET. The results obtained will be used in the designing of new chalcone derivatives.

Keywords: Chalcones; Hepatocellular carcinoma; Pyrazole; Docking; Pre ADME

Copyright: © 2018 Neelima Dhingra., et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.



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