Synthesis, Anticancer Evaluation and in Silico Studies of 1,4-Dihydropyridines

Santha Kumari Merugu; V B R Krishnan K; Ravi Kumar K; Siddique Akber Ansari; Irfan Aamer Ansari; Hari Babu Bollikolla

doi:10.1002/cbdv.202201158

Synthesis, Anticancer Evaluation and in Silico Studies of 1,4-Dihydropyridines

Chem Biodivers. 2023 Aug;20(8):e202201158. doi: 10.1002/cbdv.202201158. Epub 2023 Jul 20.

Authors

Santha Kumari Merugu^{1

2}, V B R Krishnan K¹, Ravi Kumar K³, Siddique Akber Ansari⁴, Irfan Aamer Ansari⁵, Hari Babu Bollikolla^{1

6

7}

Affiliations

¹ Department of Chemistry, Acharya Nagarjuna University, NNagar, Guntur, 522510, AP-, India.
² Department of Chemistry, Government Degree college, Rajhamundry, 533524, AP-, India.
³ Department of Pharmaceutical Chemistry and Phytochemistry, Nirmala College of Pharmacy, Atmakur, Mangalagiri, Guntur, 522302, AP-, India.
⁴ Department of Pharmaceutical chemistry, College of Pharmacy, King Saud University, PO Box.2457, Riyadh, 11451, Saudi Arabia.
⁵ Department of Drug Science & Technology, University of Turin, 10124, Turin, Italy.
⁶ Department of Nanotechnology, Acharya Nagarjuna University, NNagar, Guntur, 522510, AP, India.
⁷ Department of Chemistry, Andhra Kesari University, Ongole, Prakasam Dist, 523 001, AP-, India.

PMID: 37400965
DOI: 10.1002/cbdv.202201158

Abstract

An efficient 1,4-dihydropyridine synthesis under mild conditions has been developed. Numerous substrates were tested, with yields of 1,4-dihydropridines ranging from good to excellent and a wide range of functional group tolerance. A549, HT-29, and HepG2 cancer cells were used to investigate the anticancer efficacy of each of the produced compounds. Additionally, in-silico docking studies were conducted to understand the structure-based features of the anticancer mechanism with the cancer medication target of Adenosine A2A receptor as well as the molecular level interactions of the compounds.

Keywords: aldehydes; anticancer activity; imidazole hydrochloride; molecular docking studies; unsymmetrical 1,4-dihydropyridines.

MeSH terms

Antineoplastic Agents* / chemistry
Dihydropyridines* / chemistry
Dihydropyridines* / pharmacology
Drug Screening Assays, Antitumor
HT29 Cells
Hep G2 Cells
Humans
Molecular Docking Simulation
Molecular Structure
Structure-Activity Relationship

Substances

Dihydropyridines
Antineoplastic Agents

Abstract

MeSH terms

Substances

Grants and funding