IN SILICO ADMET PROFILING AND MOLECULAR DOCKING OF NOVEL SUBSTITUTED THIENO[3,2-d] PYRIMIDINES AGAINST LIGAND BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA IN COMPLEX WITH SYNTHETIC AGONIST

Amrutkar Rakesh Devidas, Amrute Bhavesh Bharat, Ahire Ashishkumar Harishchndra, Ziyaul Haque s. Ahmed
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Abstract

Pyrimidine ring system has wide range of pharmacological activities in the form of substituted and fused ring system and its derivatives. In this study we use some new computational tools for predicting ADMET, Pharmacological profile and Molecular docking of some novel substituted Thieno[3,2-d]pyrimidine. The side effect during the investigation is Carcinogenicity, Hepatotoxicity, etc., Molecular docking by using QSAR Software (Drug-receptor Interaction) it also focuses.
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新型取代噻吩[3,2-d]嘧啶对抗人过氧化物酶体增殖物激活受体配体结合域的硅基分析与分子对接
嘧啶环系以取代环系和融合环系及其衍生物的形式具有广泛的药理活性。在这项研究中,我们使用了一些新的计算工具来预测ADMET,一些新的取代Thieno[3,2-d]嘧啶的药理谱和分子对接。研究过程中的毒副作用有致癌性、肝毒性等,利用QSAR软件进行分子对接(药物受体相互作用)也是重点。
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