ADME网络工具分析选定的苹果植物化学成分:一个综合的在线平台

IF 0.8 Q4 METALLURGY & METALLURGICAL ENGINEERING Kompleksnoe Ispolzovanie Mineralnogo Syra Pub Date : 2023-02-24 DOI:10.31643/2023/6445.25
Khaldun AL Azzam, H. Rima
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引用次数: 0

摘要

在设计/工程一种新药时应考虑AADME-Tox质量,因为它们是药物设计开发中候选分子失败的主要原因。在药物创建过程中尽早检查这些特征可能会节省时间和金钱。在过去的五十年中,ADME在药物工程/设计过程中发挥了重要作用。采用SwissADME webserver对苹果各成分的ADME特性进行了测定。对化合物的ADME谱进行了评价,认为大多数化合物适合进一步研究。硅ADMET分析已被证明是药物工程/设计开发的有效方法。结果,所有化合物都进行了ADMET预测测试,植物化学成分被证明是可接受的药物样分子。在不久的将来,我们将对可能的植物化学化合物进行更多的体外和体内研究,以找到治疗不同疾病的解决方案。我们希望计算机分析将有助于正在进行的创新药物发现。
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ADME Webtool for Analysis of Selected Apple Phytochemical Constituents: A Comprehensive Integrated Online Platform
AADME-Tox qualities should be considered while designing/engineering a novel medicine because they are the primary cause of failures for candidate molecules in drug design development. Early examination of these features during medication creation might save time and money. ADME has played an important part in the drug engineering/design process throughout the last five decades. The ADME characteristics of apple constituents were determined using SwissADME webservers. The ADME profiles of the compounds were assessed, and most of them were deemed to be appropriate for further research. In-silico ADMET analysis has been shown to be an effective approach in drug engineering/design development. As a result, all compounds were tested for ADMET prediction, and the phytochemical constituents were shown to be acceptable drug-like molecules. More in vitro and in vivo research with our possible phytochemical compounds will be conducted in the near future to find a solution to cure from different diseases. We hope that the in-silico analysis will be useful in ongoing innovative medication discovery.
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