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Pharmacophore modeling, 3D-QSAR, docking study and ADME prediction of acyl 1,3,4-thiadiazole amides and sulfonamides as antitubulin agents
2016
Arabian Journal of Chemistry
Pharmacophore modeling, molecular docking, and in silico ADME studies have been carried out to determine the binding mode and drug likeliness profile of acyl 1,3,4-thiadiazole amides and sulfonamides as antitubulin agents. A four point pharmacophore model (AAHR.11) was generated using 63 compounds with IC 50 values ranging from 3.16 to 505.76 lM. A statistically significant 3D-QSAR model was generated from the pharmacophore hypothesis. The model had a high correlation coefficient (R 2 =
doi:10.1016/j.arabjc.2016.11.004
fatcat:fpw2hq7canbc5fdfoycn5dhp5y