Author(s): Abdulrahman A. Humaid, Maher A. Al-Maqtari, Abdulkarim K. Alzomor, Anes A.M. Thabit

Email(s): a.hamid@su.edu.ye , m.almaqtari@su.edu.ye , alzomor@tu.edu.ye

DOI: 10.52711/0974-360X.2024.00357   

Address: Abdulrahman A. Humaid1, Maher A. Al-Maqtari2, Abdulkarim K. Alzomor3, Anes A.M. Thabit1*
1Department of Biology, Faculty of Sciences, Sana`a University, Yemen.
2Department of Chemistry, Faculty of Sciences, Sana`a University, Yemen.
3Department of Pharmacy, Faculty of Medical Sciences, Thamar University, Yemen.
*Corresponding Author

Published In:   Volume - 17,      Issue - 5,     Year - 2024


ABSTRACT:
The aim of this study was to design and evaluate novel structural analogs of amlodipine that might have similar or higher antibacterial activity than the drug but fewer cardiovascular side effects. A number of computational and data retrieval techniques were used for the investigations in this study. After predicting the bacterial target of amlodipine, 85 structural analogs of the drug were designed and evaluated for their probability of antibacterial activity, calcium channel blocker activity, toxicity profiles, drug-likeness, and pharmacokinetics. Bacterial DNA topoisomerase I was found to be a potential target for amlodipine antibacterial activity, and thirteen analogs of the drug most likely acted on the same bacterial target as amlodipine. Of these analogs, only three had a low probability of acting as calcium channel blockers but an acceptable probability of having low toxicity and drug-likeness properties. However, only two of these analogs with a 1-butyl-4-hydropyridine core showed good probability of pharmacokinetics and are therefore promising as lead compounds for the discovery of new antibacterial drugs.


Cite this article:
Abdulrahman A. Humaid, Maher A. Al-Maqtari, Abdulkarim K. Alzomor, Anes A.M. Thabit. Amlodipine Analogs as lead compounds for the discovery of new Antibacterial drugs; A Chemoinformatics Study. Research Journal of Pharmacy and Technology. 2024; 17(5):2271-1. doi: 10.52711/0974-360X.2024.00357

Cite(Electronic):
Abdulrahman A. Humaid, Maher A. Al-Maqtari, Abdulkarim K. Alzomor, Anes A.M. Thabit. Amlodipine Analogs as lead compounds for the discovery of new Antibacterial drugs; A Chemoinformatics Study. Research Journal of Pharmacy and Technology. 2024; 17(5):2271-1. doi: 10.52711/0974-360X.2024.00357   Available on: https://rjptonline.org/AbstractView.aspx?PID=2024-17-5-53


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