Green Synthesis, Characterization, In Silico ADMET Profiling, Molecular Docking Studies of 3, 4-Dihydropyrimidin-2-(1H)-ones Against Voltage-Gated Calcium Channel (4MS2) Receptor

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Abstract

The present work involves design, synthesis and evaluation of derivatives of 3,4-dihydropyrimidine 2 one. Using pyrimdine as a core structure for design of novel pyrimidine derivatives which are calcium channel blocker, Derivatives of 3,4-dihydropyrinidine-2-one was synthesized by microwave assisted synthesis method. There are ten derivatives are synthesized by microwave assisted synthesis in laboratory. The entire synthesized compound was tested using Insilco parameters like Pass online data, SwissADME parameters and toxicity parameters by using protox II. All the synthesized compound tested by pass online software for its biological activity. All the synthesized compounds reflelects various activities like antihypertensive, antianginal, antiviral, antifungal and all of them are calcium channel blockers.
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3,4-二氢嘧啶-2-(1H)-酮对电压门控钙通道(4MS2)受体的绿色合成、表征、硅内ADMET谱分析和分子对接研究
本工作涉及3,4-二氢嘧啶-2-酮衍生物的设计、合成和评价。以嘧啶啶为核心结构设计了新型钙通道阻滞剂嘧啶衍生物,采用微波辅助合成法合成了3,4-二氢嘧啶-2-酮衍生物。在实验室中用微波辅助合成法合成了10种衍生物。使用Insilco参数,如Pass在线数据、SwissADME参数和毒性参数,使用protox II对整个合成的化合物进行测试。所有合成的化合物通过在线软件进行生物活性测试。所有合成的化合物都具有抗高血压、抗心脏病、抗病毒、抗真菌等多种活性,它们都是钙通道阻滞剂。
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