CONSTRUCTION AND OPTIMIZATION OF STRUCTURE-BASED VIRTUAL SCREENING PROTOCOLS TO IDENTIFY CYCLOOXYGENASE-1 INHIBITORS USING OPEN BABEL, SPORES AND PLANTS

CONSTRUCTION AND OPTIMIZATION OF STRUCTURE-BASED VIRTUAL SCREENING PROTOCOLS TO IDENTIFY CYCLOOXYGENASE-1 INHIBITORS USING OPEN BABEL, SPORES AND PLANTS

Structure-Based Virtual Screening (SBVS) protocols to identify cyclooxygenase-1 (COX-1) inhibitors have been constructed and optimized based on their Root Mean Square Deviation (RMSD) values of the docked pose and the crystal structure pose of the reference ligand. Employing a COX-1 structure obtain...

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Bibliographic Details
Main Author: Enade Perdana Istyastono
Format: Article
Language:English
Published: Department of Chemistry, Universitas Gadjah Mada 2012-06-01
Series:Indonesian Journal of Chemistry
Subjects:
Structure-Based Virtual Screening
molecular docking
cyclooxygenase-1
Open Babel
SPORES
PLANTS1.2
root mean square deviation
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/21354

Internet

https://jurnal.ugm.ac.id/ijc/article/view/21354

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