Virtual Screening Of N’-Methylene-1H-Indole- 2-Carbohydrazide Schiff ‘s Base Derivatives as Cyclooxygenase Inhibitors Volume 4 - Issue 2

Amira A Sadawe¹, Omran Fhid¹, Inass A Sadawe¹, Nisreen H Meiqal¹, Abdulathim A A Alshoushan², Salah M Bensaber¹, Anton Hermann³ and Abdul M Gbaj¹*

• ¹Department of Medicinal Chemistry, Faculty of Pharmacy, University of Tripoli, Libya
• ²National Centre for Food and Drug Control (LFDA), Tripoli, Libya
• ³Department of Biosciences, University of Salzburg, Salzburg, Austria

Received: December 20, 2019;   Published: January 07,2020

*Corresponding author: Abdul M Gbaj, Associate Professor of Genetics and Biochemistry, Department of Medicinal Chemistry, University of Tripoli, Libya

DOI: 10.32474/LOJMS.2020.04.000185

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Abstract

A number of Schiff’s base derivatives for N’-methylene-1H-indole-2-carbohydrazide have been designed and evaluated in-silico for their cyclooxygenase (COX) inhibition ability. All molecules were docked to the active site of both COX-1 and COX-2 using the Auto Dock 4.2 software. All studied compounds showed high docking score against both COX-1 and COX-2. The docking scores and binding energy of the investigated compounds were found to be very promising as cyclooxygenase inhibitor and consequently as non-steroidal analgesic agents.

Keywords: Non-steroidal anti-inflammatory; molecular docking; Schiff`s base; cyclooxygenase

Abstract| Introduction| Materials and Methods| Results and discussion| References|