Why we need to implement intramolecular hydrogen-bonding considerations in drug discovery

分子内力 化学 氢键 图书馆学 计算机科学 立体化学 分子 有机化学
作者
Giulia Caron
出处
期刊:Future Medicinal Chemistry [Newlands Press Ltd]
卷期号:9 (1): 1-5 被引量:8
标识
DOI:10.4155/fmc-2016-0195
摘要

Future Medicinal ChemistryVol. 9, No. 1 CommentaryWhy we need to implement intramolecular hydrogen-bonding considerations in drug discoveryGiulia Caron & Giuseppe ErmondiGiulia Caron*Author for correspondence: E-mail Address: giulia.caron@unito.it Department of Molecular Biotechnology & Health Sciences, University of Torino, Via Quarello, 15, 10135-Torino, ItalySearch for more papers by this author & Giuseppe Ermondi Department of Molecular Biotechnology & Health Sciences, University of Torino, Via Quarello, 15, 10135-Torino, ItalySearch for more papers by this authorPublished Online:13 Dec 2016https://doi.org/10.4155/fmc-2016-0195AboutSectionsView ArticleView Full TextPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsPermissionsReprints ShareShare onFacebookTwitterLinkedInReddit View articleKeywords: ADME-Toxdrug designdrug discoveryintramolecular hydrogen bondintramolecular hydrogen bond propensityReferences1 Castellano R. Special issue: intramolecular hydrogen bonding. 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Pharm. 13(3), 1100–1110 (2016).Crossref, Medline, CAS, Google ScholarFiguresReferencesRelatedDetailsCited ByRecognition and release of uridine and hCNT3: From multivariate interactions to molecular designInternational Journal of Biological Macromolecules, Vol. 223Synthesis of magnetic nanoparticles Fe3O4@CQD@Si(OEt)(CH2)3@melamine@TC@Ni(NO3) with application in the synthesis of 2-amino-3-cyanopyridine and pyrano[2,3-c]pyrazole derivatives28 March 2022 | Research on Chemical Intermediates, Vol. 48, No. 6Design, synthesis and biological evaluation of harmine derivatives as potent GSK-3β/DYRK1A dual inhibitors for the treatment of Alzheimer's diseaseEuropean Journal of Medicinal Chemistry, Vol. 222In silico investigation on alkaloids of Rauwolfia serpentina as potential inhibitors of 3-hydroxy-3-methyl-glutaryl-CoA reductaseSaudi Journal of Biological Sciences, Vol. 28, No. 1Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics14 February 2019 | Angewandte Chemie, Vol. 131, No. 12Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular DynamicsAngewandte Chemie International Edition, Vol. 58, No. 12High throughput methods to measure the propensity of compounds to form intramolecular hydrogen bonding1 January 2017 | MedChemComm, Vol. 8, No. 6 Vol. 9, No. 1 Follow us on social media for the latest updates Metrics Downloaded 287 times History Published online 13 December 2016 Published in print January 2017 Information© Future Science LtdKeywordsADME-Toxdrug designdrug discoveryintramolecular hydrogen bondintramolecular hydrogen bond propensityFinancial & competing interests disclosureThe authors have no relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript. This includes employment, consultancies, honoraria, stock ownership or options, expert testimony, grants or patents received or pending, or royalties.No writing assistance was utilized in the production of this manuscript.PDF download
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