ISSN : 2663-2187

"Unlocking Lyase Binding: A Computational Exploration of 2-(2-(5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Vinyl)-6-Methylpyrimidin-4-Ol Derivatives"

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Meenakshi Tyagi, Mukesh Maithani, Ravinder Sharma, Mayank Yadav
ยป doi: 10.33472/AFJBS.6.10.2024.4428-4443

Abstract

An entirely with pyrazole Nonsteroidal anti-inflammatory substances (NSAIDs), which are frequently employed in the treatment of cancer.Pyrazole, a crucial heterocyclic scaffold in medicinal chemistry, has a wide range of biological actions including antiviral, anticonvulsant, anticancer, antibacterial, and antifungal activity were the inspiration for the creation of pyrazole bearing pyrimidine derivative.[1,2] In order to evaluate pyrazole carrying Pyrimidine analogues as anti-inflammatory, anticancer, and COX inhibitors, successful marketed medications with pyrazole as the central core (Celecoxib, Deracoxib) were used as a foundation.By enhancing specificity towards COX2 as opposed to COX1, it could possibly be feasible to create Analgesics with greater medical value as well as reduced imperilment.[3]In the current investigation, the selective COX2 inhibitor celecoxib's central pyrazole core, which is coupled to the phenylsulfonamide group, has been employed. Through chemical modification novel pyrazole bearing Pyrimidine analogues were created. To explain the derivatives' binding affinities and their mechanisms for interaction with the active site of the lyase enzyme, a molecular interaction investigation was also conducted.[4]

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