Virtual Screening, Molecular Docking and QSAR Studies in Drug Discovery and Development Programme
نویسندگان
چکیده
منابع مشابه
In Silico Screening Studies on Methanesulfonamide Derivatives as Dual Hsp27 and Tubulin Inhibitors Using QSAR and Molecular Docking
The expression of heat shock protein 27 (Hsp27) as a chaperone protein, is increased in response to various stress stimuli such as anticancer chemotherapy. This phenomenon can lead to survive of the cells and causes drug resistance. In this study, a series of methanesulfonamide derivatives as dual Hsp27 and tubulin inhibitors in the treatment of cancer were applied to quantitative structure–act...
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Very late antigen-4 (VLA-4) is an integrin protein, and its antagonists are useful as anti-inflammatory drugs. The aim of this study is to discover novel virtual lead compounds to use them in designing potent VLA-4 antagonists. A best pharmacophore model was generated with correlation coefficient of 0.935, large cost difference of 114.078, comprising two hydrogen bond acceptors and three hydrop...
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Akt2 is considered as a potential target for cancer therapy. In order to find novel Akt2 inhibitors which have different scaffolds, structure-based pharmacophore model and 3D-QSAR pharmacophore model were built and validated by different methods. Then, they were used for chemical databases virtual screening. The selected compounds were further analyzed and refined using drug-like filters and AD...
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این پژوهش با هدف "بررسی وضعیت موجود آموزش عالی مجازی در ایران و راههای توسعه و ارتقای آن " و با روش توصیفی-تحلیلی و پیمایشی صورت پذیرفته است. بررسی اسنادو مدارک موجود در زمینه آموزش مجازی نشان داد تعداد دانشجویان و مقاطع تحصیلی و رشته محل های دوره های الکترونیکی چندان مطلوب نبوده و از نظر کیفی نیز وضعیت شاخص خدمات آموزشی اساتید و وضعیت شبکه اینترنت در محیط آموزش مجازی نامطلوب است.
3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors.
Chemical features based 3D pharmacophore models were developed for HSP90 based on the known inhibitors using Discovery Studio V2.1. An optimal pharmacophore model was brought forth and validated using a decoy set, external test set and Fischer's randomization method. The best five features pharmacophore model, Hypo1, includes two hydrogen bond acceptors, three hydrophobic features, which has th...
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ژورنال
عنوان ژورنال: Journal of Drug Delivery and Therapeutics
سال: 2020
ISSN: 2250-1177
DOI: 10.22270/jddt.v10i4.4218