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药学系 王磊副教授和美国明尼苏达大学药学院 Zhengqiang Wang 教授共同在国际著名期刊 Accounts of Chemical Research 上发表题目为 “Cutting into the Substrate Dominance: Pharmacophore and Structure-Based Approaches toward Inhibiting Human Immunodeficiency Virus Reverse Transcriptase-Associated Ribonuclease H” 的综述文章（ DOI: 10.1021/acs.accounts ...
What the reader will gain: Readers will rapidly gain insight into the recent successful applications of pharmacophore-based virtual screening. They will acknowledge that this technique is a powerful and cost-effective alternative to high-throughput assays.
Pharmacophore hybridisation and nanoscale assembly to discover self-delivering lysosomotropic new-chemical entities for cancer therapy. Nature Communications ( IF 14.919 ) Pub Date : 2020-09-15 , DOI: 10.1038/s41467-020-18399-4
Virtual screening of large compound databases, looking for potential ligands of a target protein, is a major tool in computer-aided drug discovery. Throughout the years, different techniques such as similarity searching, pharmacophore matching, or ...
International Journal of Molecular Sciences is an international, peer-reviewed, open access journal providing an advanced forum for biochemistry, molecular and cell biology, molecular biophysics, molecular medicine, and all aspects of molecular research in chemistry, and is published semimonthly online by MDPI.The Australian Society of Plant Scientists (ASPS), Epigenetics Society, European ...
Pharmacophore models are widely used in computational drug discovery (e.g., in the virtual screening of drug molecules) to capture essential information about interactions between ligands and a target protein. Generating pharmacophore models from ...
Pharmacophore is the spatial configuration of essential features that enable a ligand molecule to interact with a specific target receptor. In the absence of a known receptor structure, a pharmacophore can be identified from a set of ligands that have been observed to …
【摘要】药效团(pharmacophore)是指药物分子中对活性起重要作用的“药效特征元素”及其空间排列形式。药效团技术作为1种发展迅速的计算机辅助药物设计方法,已广泛应用于虚...
Discoveryofpotentinhibitorsforphosphodiesterase5byvirtualscreeningandpharmacophoreanalysis《中国药理学报:英文版》2009年第8期|Chien-yuCHENYea-hu...
Pharmacophoreapproacheshavebecomeoneofthemajortoolsintheareaofdrugdiscovery.Applicationofpharmacophoremodelingapproachesallowsred...
AsymmetricConstructionofaMulti-Pharmacophore-ContainingDispirotriheterocyclicScaffoldandIdentificationofaHumanCarboxylesterase1InhibitorXiaozeBao,...
international journal of pharmaceutics 文 介绍 | 投稿经验 |...
ABSTRACT:Duringthepastfewyears,pharmacophoremodelinghasbecomeoneofthekeycomponentsincomputer-aideddrugdesignandinmoderndrugdiscovery.DrugO...
Conclusion;Theestablishedpharmacophoremodelhasgoodpredictivea-bilityandcanbefurtherusedtodevelopnoveltubulininhibitors.%目的:构建作用于秋水仙碱...
【Keywords】pharmacophore;virtualscreening;activecomponentidentification;【基金】国家自然基金重大项目(81891014)【DOI】10.19540/j.cnki.cjcmm...
(LDL-C)levels.InhibitionofCETPmaybeanewtherapyfortreatingatherosclerosis.Herein,wereportthedevelopmentofaligand-basedpharmacophorem...
Flupyradifurone(4-[(2,2-difluoroethyl)amino]-2(5H)-furanone),amemberofthenewclassofbutenolideinsecticides,containsanovelbioactivescaffoldaspharma...