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  3. Discovery of a novel series of substituted quinolines acting as anticancer agents and selective EGFR blocker: Molecular docking study

Discovery of a novel series of substituted quinolines acting as anticancer agents and selective EGFR blocker: Molecular docking study

  • Bioorg Med Chem Lett. 2021 Jul 15:44:128118. doi: 10.1016/j.bmcl.2021.128118.
C B Pradeep Kumar 1,  M S Raghu 2,  B S Prathibha 3,  M K Prashanth 4,  G Kanthimathi 5,  K Yogesh Kumar 6,  L Parashuram 2,  Fahad A Alharthi 7
Affiliations

Affiliations

  • 1 Department of Chemistry, Malnad College of Engineering, Hassan 573 202, India.
  • 2 Department of Chemistry, New Horizon College of Engineering, Bengaluru 560 103, India.
  • 3 Department of Chemistry, B N M Institute of Technology, Bengaluru 560 070, India.
  • 4 Department of Chemistry, B N M Institute of Technology, Bengaluru 560 070, India. Electronic address: prashanthmk87@gmail.com.
  • 5 Department of Chemistry, Ramco Institute of Technology, Rajapalayam, Tamilnadu, 626117, India.
  • 6 Department of Chemistry, School of Engineering and Technology, Jain University, Ramanagara 562 112, India.
  • 7 Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
PMID: 34015505 DOI: 10.1016/j.bmcl.2021.128118
Abstract

A Ta2O5-anchored-piperidine-4-carboxylic acid (PPCA) nanoparticle has been synthesized and characterized. It was then used as a highly effective nanocatalyst for the synthesis of quinolin-2(1H)-one derivatives through CO bond functionalization. The special advantage of this heterogeneous solid catalyst is the reusability of the catalyst for up to five cycles without any noticeable reduction in product yields. In comparison, healthy reaction profiles, wide substrate scope, excellent yields and easy workup conditions are the notable highlights of this approach. All the compounds were tested for their Anticancer activity against MCF-7 (human breast), HepG2 (human liver), HCT116 (human colorectal), and PC-3 (human prostate) Cancer cell lines with the MTT assay. All the compounds were shown to have moderate to good inhibitory effects on tested Cancer cell lines. Besides, compounds 5b, 5c and 5d showed good selectivity against epidermal growth factor receptor-tyrosine kinase (EGFR-TK). Molecular docking results showed that active compounds showed a good affinity towards EGFR kinase (PDB ID: 6V6O) by forming two hydrogen bonds with Cys-797 and Tyr-801. All the compounds were screened for computational ADMET and Lipinski analysis.

Keywords

Anticancer; EGFR; Molecular docking; Quinoline; Ta(2)O(5)-supported-PPCA.

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