2,4,5-TRIPHENYL IMIDAZOLE: DESIGN AND IN-SILICO STUDIES OF 2,4,5-TRIPHENYL IMIDAZOLE DERIVATIVES AGAINST COVID-19 MAIN PROTEASE (MPRO:6Y84)
AbstractThis paper deals with the in-silico evaluation of novel 2,4,5-triphenyl imidazole derivatives for their antiviral activities. The 2,4,5-triphenyl imidazole is synthesized using a traditional method that uses benzil, ammonium acetate, benzaldehyde, and glacial acetic acid, and characterized using IR spectroscopy. A series of 2,4,5-triphenyl imidazole derivatives 3(a-f) and 4(a-f) were designed by using different heterocyclic aldehydes and acid chlorides by changing different heterocycles such as furan, thiphene, and pyrrole. Antiviral activity was investigated for all compounds using in-silico studies, primarily through molecular docking, by comparing the binding energy with that of the standard drug (hydroxychloroquine). In-silico evaluation of all compounds was performed using Swiss ADME, Molinspiration, PASS prediction, and Molecular docking. Molecular docking studies of all compounds showed the highest binding energies compared to the standard, which is hydroxychloroquine; among them, compound (3b) showed the highest binding affinity for the 6Y84 protein (-10.20 Kcal/mol) than Hydroxychloroquine (-7.42 kcal/mol). Further, these newly designed compounds can act as lead molecules for the development of new antiviral agents.
Article Information
10
3011-3020
5723 KB
13
English
IJPSR
K. Chandra Sekhar *, Bandi Likhitha, K. Sravana Lakshmi, K. Tejaswini, S. Afreen, Y. Guna Sowmya and Shaik Mahammad Fayaz
Department of Pharmaceutical Chemistry, Dr. K. V. Subba Reddy Institute of Pharmacy, Dupadu, Kurnool, Andhra Pradesh, India.
chanduniperkol@gmail.com
23 May 2025
22 June 2025
26 June 2025
10.13040/IJPSR.0975-8232.16(11).3011-20
01 November 2025
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