3D QSAR studies of synthetic compounds as potential inhibitors for Anti - hyperglycemic targets.
Abstract
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Background: The identification of potential compounds for an anti-hyperglycemic makes real challenges in the pharmaceutical industry. Library of
compounds have introduced so far, but identifying the specific target, which makes more sensation.
Objective: In the present study, the quantitative structure-activity relationship (QSAR) studies have been analyzed from the compounds were
retrieved from online and literature survey.
Methods: The compound, 6, 7, 8, 9-tetrahydro-2h-11-oxa-2, 4, 10-triaza-benzo [b] fluoren-1-one has taken as a potential target to perform QSAR
study based on the principle of the molecular docking analysis and pharmacophoric features. QSAR models were generated a target from the first 10
potential targets in the training set.
Results: The predictive ability of both models was determined using a randomly chosen test set gave predictive correlation coefficients of r2=0.9.
Conclusion: This analysis shows the ADNRR shows very close to the interactions recorded in the active site of the ligand bound complex.
Keywords: Quantitative structure-activity relationship, Pharmacophore Alignment and Scoring Engine, Dipeptidyl peptidase 4, Anti-hyperglycemic
targets, Docking studies, Three dimensional quantitative structure-activity relationship.
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