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
Lamya H. Al-Wahaibi,
Ali A. El-Emam,
Mohammed S. M. Abdelbaky,
Santiago Garcia-Granda,
Anushree Maurya,
Mamta Pal,
Zohra Siddiqui,
Raj Shukla,
Shilendra K. Pathak,
Ruchi Srivastava,
Vikas K. Shukla,
Onkar Prasad,
Leena Sinha
Affiliations
Lamya H. Al-Wahaibi
Department of Chemistry, College of Sciences, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia
Ali A. El-Emam
Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura, Egypt
Mohammed S. M. Abdelbaky
Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo University-CINN, Oviedo, Spain
Santiago Garcia-Granda
Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo University-CINN, Oviedo, Spain
Anushree Maurya
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
Mamta Pal
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
Zohra Siddiqui
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
Raj Shukla
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
Shilendra K. Pathak
Department of Physics, M. M. M. P. G. College, Deoria, Uttar Pradesh, India
Ruchi Srivastava
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
Vikas K. Shukla
Department of Physics, Maharishi University of Information Technology, Lucknow, Uttar Pradesh, India
Onkar Prasad
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
Leena Sinha
Department of Physics, University of Lucknow, Lucknow, Uttar Pradesh, India
