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2d-Qsar Study Of Synthesized Novel Derivatives Of 1,3,4-Oxadiazoles
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| Author:
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SOMASHEKHAR M, R B KOTNAL, S R KARAJAGI
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| Abstract:
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A series of 2,5 di-substituted 1,3,4-Oxadiazoles were identified as more potent anti-inflammatory activity. Novel derivatives of synthetic schemes of 2-({5-[4-(morpholin-4-yl) phenyl]-1,3,4-oxadiazol-2-yl}amino) acetohydrazide and 4-[4-(5-chloro-1,3,4-oxadiazol -2-yl)phenyl] morpholine were subjected for 2-Dimensional quantitative structural activity relationship by Multiple linear regression (MLR) method. A series of 28 molecules were used for training and test set. this 2D-QSAR study after comparison with experimental pIC50 value and Predicted pIC50 value shows synthesized novel molecules from two schemes were more effective anti-inflammatory molecules and they are SMRB4-7E, SMRB4-7J, SMRB5-6A, SMRB5-6F AND SMRB5-6M Hence, the 2D-QSAR model proposed in this work may be useful and can be employed to design above mentioned 1,3,4-Oxadiazole derivatives with targeted inhibitory activity.
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| Keyword:
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Morpholine, 1,3,4-oxadiazole, 2D-QSAR study, Anti-inflammatory activity.
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| EOI:
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| DOI:
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https://doi.org/10.31838/ijpr/2021.13.01.324
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| Download:
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