Computational/in silico methods in drug target and lead prediction
نویسندگان
چکیده
منابع مشابه
From drug target to leads--sketching a physicochemical pathway for lead molecule design in silico.
The discovery of new pharmaceuticals via computer modeling is one of the key challenges in modern medicine. The advent of global networks of genomic, proteomic and metabolomic endeavors is ushering in an increasing number of novel and clinically important targets for screening. Computational methods are anticipated to play a pivotal role in exploiting the structural and functional information t...
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During drug development, safety is always the most important issue, including a variety of toxicities and adverse drug effects, which should be evaluated in preclinical and clinical trial phases. This review article at first simply introduced the computational methods used in prediction of chemical toxicity for drug design, including machine learning methods and structural alerts. Machine learn...
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هدف از این مطالعه بررسی امکان استفاده از داروهای شناخته شده در درمان سایر بیماریها به عنوان داروهای ضد سرطان است. همچنین با استفاده از این داروها در ساختمان کمپلکس فلز می توان شاخص های دارویی بدست آمده را بررسی نمود. داروی ضد ویروس ایدز(hiv)به نام زیدوودین(azt)انتخاب و.کمپلکس.محلول.در.آب[pt(azt)2]cl2سنتزو به روشهای مختلف فیزیکی و شیمیایی شناسایی گردید. بر هم کنش مقایسه ای این دارو و کمپلکس پلا...
15 صفحه اولNRWRH for Drug Target Prediction∗
Drug-target interaction prediction is an important problem for the development of novel drugs and human medical improvement. Many supervised and semi-supervised methods are proposed to uncover the relation between drugs and targets. Under the hypothesis that similar drugs target similar target proteins and the framework of Random Walk with Restart, the method of Networkbased Random Walk with Re...
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Data in the biological, chemical, and clinical domains are accumulating at ever-increasing rates and have the potential to accelerate and inform drug development in new ways. Challenges and opportunities now lie in developing analytic tools to transform these often complex and heterogeneous data into testable hypotheses and actionable insights. This is the aim of computational pharmacology, whi...
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ژورنال
عنوان ژورنال: Briefings in Bioinformatics
سال: 2019
ISSN: 1467-5463,1477-4054
DOI: 10.1093/bib/bbz103