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Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?

2018Journal article Restricted access
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dc.contributor.authorMignani, Serge
dc.contributor.authorRodrigues, João
dc.contributor.authorTomás, Helena
dc.contributor.authorJalal, Rachid
dc.contributor.authorSingh, Parvinder Pal
dc.contributor.authorMajoral, Jean-Pierre
dc.contributor.authorVishwakarma, Ram A.
dc.date.accessioned2019-06-27T13:33:37Z
dc.date.available2019-06-27T13:33:37Z
dc.date.issued2018
dc.description.abstractDuring the past decade, decreasing the attrition rate of drug development candidates reaching the market has become one of the major challenges in pharmaceutical research and drug development (R&D). To facilitate the decision-making process, and to increase the probability of rapidly finding and developing high-quality compounds, a variety of multiparametric guidelines, also known as rules and ligand efficiency (LE) metrics, have been developed. However, what are the 'best' descriptors and how far can we simplify these drug-likeness prediction tools in terms of the numerous, complex properties that they relate to?pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationMignani, S., Rodrigues, J., Tomas, H., Jalal, R., Singh, P. P., Majoral, J. P., & Vishwakarma, R. A. (2018). Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?. Drug discovery today, 23(3), 605-615.pt_PT
dc.identifier.doi10.1016/j.drudis.2018.01.010pt_PT
dc.identifier.issn1359-6446
dc.identifier.urihttp://hdl.handle.net/10400.13/2436
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationMadeira Chemistry Research Centre
dc.subjectDrug designpt_PT
dc.subjectDrug discoverypt_PT
dc.subjectPharmaceutical preparationspt_PT
dc.subjectFilters in medicinal chemistrypt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.subjectCentro de Química da Madeira
dc.titlePresent drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?pt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleMadeira Chemistry Research Centre
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UID%2FQUI%2F00674%2F2013/PT
oaire.citation.endPage615pt_PT
oaire.citation.startPage605pt_PT
oaire.citation.titleDrug Discovery Todaypt_PT
oaire.citation.volume23(3)pt_PT
oaire.fundingStream6817 - DCRRNI ID
person.familyNameMignani
person.familyNameRodrigues
person.familyNameTomás
person.givenNameSerge
person.givenNameJoão
person.givenNameHelena
person.identifier556975
person.identifier.ciencia-id8018-B5D2-6983
person.identifier.ciencia-idA81C-620E-DD6A
person.identifier.ciencia-id4D14-D31E-A8BE
person.identifier.orcid0000-0002-1383-5256
person.identifier.orcid0000-0003-4552-1953
person.identifier.orcid0000-0002-7856-2041
person.identifier.ridB-6816-2008
person.identifier.ridE-5991-2010
person.identifier.scopus-author-id7003374430
person.identifier.scopus-author-id9233278800
person.identifier.scopus-author-id6508104177
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
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relation.isAuthorOfPublication53031fca-b2e7-4ce4-bda9-61e486da4547
relation.isAuthorOfPublication3a747114-6ab9-454b-985b-00cbf792e273
relation.isAuthorOfPublication.latestForDiscovery53031fca-b2e7-4ce4-bda9-61e486da4547
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