Dual Anti-Inflammatory and Anticancer Activity of Novel 1,5-Diaryl Pyrazole Derivatives: Molecular Modeling, Synthesis, In Vitro Activity, and Dynamics Study

Dual Anti-Inflammatory and Anticancer Activity of Novel 1,5-Diaryl Pyrazole Derivatives: Molecular Modeling, Synthesis, In Vitro Activity, and Dynamics Study

A series of novel 1,5-diaryl pyrazole derivatives targeting the COX enzyme were designed by combined ligand and structure-based approach. The designed molecules were then further subjected to ADMET and molecular docking studies. Out of 34 designed compounds, the top-10 molecules from the computation...

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Bibliographic Details
Main Authors: Priya Deivasigamani, S. M. Esther Rubavathy, Narayanan Jayasankar, Venkatesan Saravanan, Ramasamy Thilagavathi, Muthuramalingam Prakash, Chelliah Selvam, Rajakrishnan Rajagopal, Ahmed Alfarhan, Muthu Kumaradoss Kathiravan, Selvaraj Arokiyaraj, Jesu Arockiaraj
Format: Article
Language:English
Published: MDPI AG 2024-04-01
Series:Biomedicines
Subjects:
anti-inflammatory
anticancer
1,5-diaryl pyrazole
COX enzyme
Online Access:https://www.mdpi.com/2227-9059/12/4/788

Internet

https://www.mdpi.com/2227-9059/12/4/788

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