dc.creatorGuido, Rafael Victório Carvalho
dc.creatorOliva, Glaucius
dc.creatorAndricopulo, Adriano Defini
dc.date.accessioned2013-11-05T15:31:56Z
dc.date.accessioned2018-07-04T16:16:16Z
dc.date.available2013-11-05T15:31:56Z
dc.date.available2018-07-04T16:16:16Z
dc.date.created2013-11-05T15:31:56Z
dc.date.issued2012
dc.identifierPURE AND APPLIED CHEMISTRY, RES TRIANGLE PK, v. 84, n. 9, supl. 1, Part 2, pp. 1857-1866, 40544, 2012
dc.identifier0033-4545
dc.identifierhttp://www.producao.usp.br/handle/BDPI/41675
dc.identifier10.1351/PAC-CON-11-11-07
dc.identifierhttp://dx.doi.org/10.1351/PAC-CON-11-11-07
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1633675
dc.description.abstractDrug discovery has moved toward more rational strategies based on our increasing understanding of the fundamental principles of protein-ligand interactions. Structure( SBDD) and ligand-based drug design (LBDD) approaches bring together the most powerful concepts in modern chemistry and biology, linking medicinal chemistry with structural biology. The definition and assessment of both chemical and biological space have revitalized the importance of exploring the intrinsic complementary nature of experimental and computational methods in drug design. Major challenges in this field include the identification of promising hits and the development of high-quality leads for further development into clinical candidates. It becomes particularly important in the case of neglected tropical diseases (NTDs) that affect disproportionately poor people living in rural and remote regions worldwide, and for which there is an insufficient number of new chemical entities being evaluated owing to the lack of innovation and R&D investment by the pharmaceutical industry. This perspective paper outlines the utility and applications of SBDD and LBDD approaches for the identification and design of new small-molecule agents for NTDs.
dc.languageeng
dc.publisherINT UNION PURE APPLIED CHEMISTRY
dc.publisherRES TRIANGLE PK
dc.relationPURE AND APPLIED CHEMISTRY
dc.rightsCopyright INT UNION PURE APPLIED CHEMISTRY
dc.rightsopenAccess
dc.subjectBIOLOGICAL ACTIVITY
dc.subjectCOMPUTER-AIDED MOLECULAR DESIGN
dc.subjectDRUG DISCOVERY
dc.subjectENZYMES
dc.subjectENZYME INHIBITORS
dc.subjectLIGAND-BASED DRUG DESIGN
dc.subjectMEDICINAL CHEMISTRY
dc.subjectNEGLECTED TROPICAL DISEASES
dc.subjectSTRUCTURE-BASED DRUG DESIGN
dc.subjectSTRUCTURE-ACTIVITY RELATIONSHIPS
dc.titleStructure- and ligand-based drug design approaches for neglected tropical diseases
dc.typeArtículos de revistas


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