Structural Characterization, Spectroscopic Profile, Molecular Docking, ADMET Properties, Molecular Dynamics Simulation Studies, and Molecular Mechanics Generalized Born Surface Area Analysis of 5-(Adamantan-1-yl)-4-butyl-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione as a Potential COX Inhibitor-Reference-Cited by-同舟云学术

Structural Characterization, Spectroscopic Profile, Molecular Docking, ADMET Properties, Molecular Dynamics Simulation Studies, and Molecular Mechanics Generalized Born Surface Area Analysis of 5-(Adamantan-1-yl)-4-butyl-2,4-dihydro-3H-1,2,4-triazole-3-thione as a Potential COX Inhibitor

Published:2024-06-05 Issue:24 Volume:9 Page:26651-26672
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Al-Wahaibi Lamya H.¹,El-Emam Ali A.²^ORCID,S. M. Abdelbaky Mohammed³^ORCID,Garcia-Granda Santiago³^ORCID,Maurya Anushree⁴,Pal Mamta⁴,Siddiqui Zohra⁴,Shukla Raj⁴,Pathak Shilendra K.⁵,Srivastava Ruchi⁴,Shukla Vikas K.⁶,Prasad Onkar⁴,Sinha Leena⁴^ORCID

Affiliation:

1. Department of Chemistry, College of Sciences, Princess Nourah bint Abdulrahman University, Riyadh 11671, Saudi Arabia

2. Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt

3. Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo University-CINN, Oviedo 33006, Spain

4. Department of Physics, University of Lucknow, Lucknow 226007, Uttar Pradesh, India

5. Department of Physics, M. M. M. P. G. College, Deoria 274502, Uttar Pradesh, India

6. Department of Physics, Maharishi University of Information Technology, Lucknow 226013, Uttar Pradesh, India

Funder

Council of Scientific and Industrial Research, India

Princess Nourah Bint Abdulrahman University

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.4c03512

Reference84 articles.

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5. Tromantadine: inhibitor of early and late events in herpes simplex virus replication