Design, synthesis and molecular modeling studies of few chalcone analogues of benzimidazole for epidermal growth factor receptor inhibitor in search of useful anticancer agent

Santosh S Chhajed; Sandeep S Sonawane; Chandrashekhar D Upasani; Sanjay J Kshirsagar; Pramodkumar P Gupta

doi:10.1016/j.compbiolchem.2016.02.001

Design, synthesis and molecular modeling studies of few chalcone analogues of benzimidazole for epidermal growth factor receptor inhibitor in search of useful anticancer agent

Comput Biol Chem. 2016 Apr:61:138-44. doi: 10.1016/j.compbiolchem.2016.02.001. Epub 2016 Feb 6.

Authors

Santosh S Chhajed¹, Sandeep S Sonawane², Chandrashekhar D Upasani³, Sanjay J Kshirsagar⁴, Pramodkumar P Gupta⁵

Affiliations

¹ Department of Pharmaceutical Chemistry, Bhujbal Knowledge City, MET's Institute of Pharmacy Adgaon, Nashik, MS, India. Electronic address: santosh_chhajed@rediffmail.com.
² Department of Pharmaceutical Chemistry, Bhujbal Knowledge City, MET's Institute of Pharmacy Adgaon, Nashik, MS, India.
³ Department of Pharmacology, SNJB's Shriman Sureshdada Jain College of Pharmacy, Neminagar, Chandwad, Nashik, MS, India.
⁴ Department of Pharmaceutics, MET's Institute of Pharmacy Adgaon, Nashik, MS, India.
⁵ School of biotechnology and bioinformatics, D.Y. Patil University, Navi Mumbai-15, MS, India.

PMID: 26878127
DOI: 10.1016/j.compbiolchem.2016.02.001

Abstract

In the present investigation, few 3-(substitutedphenyl)-1-[2-(1-hydroxy-ethyl)]-1H-benzimidazol-1-yl)prop-2-en-1-ones are EGFR antagonist are designed, by molecular docking analysis. The synthesized compounds were tested for their in vitro anticancer activity by propidium iodide fluorescent assay and Trypan blue viability assay against colorectal cancer cell lines (HCT116) and non-small cell lung cancer cell lines (H460). Human Epithelial Kidney cell lines (HEK) are used as normal cell lines for studying effect of drug on non-cancerous cells within human body. Evaluation of cytotoxic studies of synthesized compounds CHL(1-8) reveal that compound CHL1 [IC50=7.31 and 10.16 μM against HCT116 and H460 cell lines respectively, by PI assay] and CHL8 [IC50=12.52 and 6.83 against HCT116 and H460μM cell lines respectively] possess promising cytotoxic activity.

Keywords: Anticancer activity; EGFR; Flow cytometry; Molecular docking.

MeSH terms

Antineoplastic Agents / chemistry
Antineoplastic Agents / pharmacology*
Benzimidazoles / chemistry*
Cell Line
Cell Line, Tumor
Chalcones / chemistry*
Drug Design
ErbB Receptors / antagonists & inhibitors*
Humans
Models, Molecular
Molecular Docking Simulation

Substances

Antineoplastic Agents
Benzimidazoles
Chalcones
ErbB Receptors