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BIOCHEMISTRY OF FASTING – A REVIEW ON METABOLIC SWITCH AND AUTOPHAGY.
Volume - 13 | Issue-1
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ONE-POT ENVIRONMENT FRIENDLY SYNTHESIS OF IMINE DERIVATIVE OF FURFURAL AND ASSESSMENT OF ITS ANTIOXIDANT AND ANTIBACTERIAL POTENTIAL
Volume - 13 | Issue-1
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MODELING AND ANALYSIS OF MEDIA INFLUENCE OF INFORMATION DIFFUSION ON THE SPREAD OF CORONA VIRUS PANDEMIC DISEASE (COVID-19)
Volume - 13 | Issue-1
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INCIDENCE OF HISTOPATHOLOGICAL FINDINGS IN APPENDECTOMY SPECIMENS IN A TERTIARY CARE HOSPITAL IN TWO-YEAR TIME
Volume - 13 | Issue-1
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SEVERITY OF URINARY TRACT INFECTION SYMPTOMS AND THE ANTIBIOTIC RESISTANCE IN A TERTIARY CARE CENTRE IN PAKISTAN
Volume - 13 | Issue-1
Exploration of Methotrexate and Etoricoxib against Inflammation Targets PLA2, 15-PGDH, and NOS: Molecular Docking and Molecular Simulation Studies
Main Article Content
Abstract
Methotrexate (MTX) and Etoricoxib (ETC) have not been studied against three inflammation targets, such as phospholipase A2 (PLA2), 15-hydroxyprostaglandin dehydrogenase (15-PGDH), and inducible nitric oxide synthase (iNOS) using Schrodinger Software package 2021. This study's main objective was to employ in-silico methodologies to examine how well the anti-inflammatory drugs MTX and ETC worked against these three key targets [1DCY (Crystal structure of Human S-PLA2 in complex with Indole-3 active site inhibitor); 2GDZ (Crystal structure of 15-PGDH, complexed with NAD+ ); and 4NOS (Human-iNOS with Inhibitor)]. Also, using the online computational tool SwissADME, it has been investigated how to estimate the drug-likeliness, bioavailability, and pharmacokinetics of MTX and ETC
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