Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos

Detalhes bibliográficos
Autor(a) principal: Oliveira, Ramon Guerra de
Data de Publicação: 2016
Tipo de documento: Trabalho de conclusão de curso
Idioma: por
Título da fonte: Repositório Institucional da UFPB
Texto Completo: https://repositorio.ufpb.br/jspui/handle/123456789/1007
Resumo: Piperine is the major alkaloid of Piper nigrum Linn., used as spice and in popular medicine. We present a molecular docking study supporting experimental data about the enhance in bioavailability of propranolol, theophylline, phenytoin, nevirapine, rifampicin, nimesulide, pyrazinamide , carbamazepine, and spartein in the presence of piperine. The complex formed with piperine and CYP3A4 was shown to be the most stable of all, with the binding energy of - 8.60 kcal/mol. This explain the related mechanism of interaction drug - herb, since the better anchoring of piperine in the active site of CYP3A4 can hinder the drug - enzyme interaction, increasing th e bioavailability of the considered drugs.
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spelling 2016-03-09T14:48:07Z2016-03-09T14:48:07Z2016-03-09https://repositorio.ufpb.br/jspui/handle/123456789/1007Piperine is the major alkaloid of Piper nigrum Linn., used as spice and in popular medicine. We present a molecular docking study supporting experimental data about the enhance in bioavailability of propranolol, theophylline, phenytoin, nevirapine, rifampicin, nimesulide, pyrazinamide , carbamazepine, and spartein in the presence of piperine. The complex formed with piperine and CYP3A4 was shown to be the most stable of all, with the binding energy of - 8.60 kcal/mol. This explain the related mechanism of interaction drug - herb, since the better anchoring of piperine in the active site of CYP3A4 can hinder the drug - enzyme interaction, increasing th e bioavailability of the considered drugs.A piperina é o principal alcalóide da Piper nigrum Linn. usado como condimento e na medicina popular. Nós apresentamos um estudo de ancoramento molecular de suporte aos dados experimentais sobre o aumento na biodisponibilidade do s fármacos: propranolol, teofilina, fenitoína, nevirapina, rifampicina, nimesulida, pirazinamid a, carbamazepina, e esparteína na presença de piperina. O complexo formado entre a piperina e CYP3A4 se mostrou o mais estável de todos , com a energia de l igação de - 8,60 kcal / mol. Isto explica o mecanismo relacionado a interações descritas do tipo fárma co - e rva, uma vez que a melhor ancoragem de piperina no sítio ativo do CYP3A4 pode impedir a interação da formação dos complexos droga - enzima, aumentando a biodisponibilidade dos fármacos consideradosSubmitted by Fernando Vieira (nandogusto6@gmail.com) on 2016-03-09T14:48:07Z No. of bitstreams: 1 RGO09032016.pdf: 2900552 bytes, checksum: 9b301189c8a07bafa5d08473b27ed2c4 (MD5)Made available in DSpace on 2016-03-09T14:48:07Z (GMT). No. of bitstreams: 1 RGO09032016.pdf: 2900552 bytes, checksum: 9b301189c8a07bafa5d08473b27ed2c4 (MD5)Universidade Federal da ParaíbaUFPBJoão Pessoa, PB: 2015.CNPQ:Ciências da Saúde : FarmáciaPiperinaInibição EnzimáticaDocking MolecularCYP3A4Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacosinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bachelorThesisVasconcellos,Mário Luiz Araújo de Almeidahttp://lattes.cnpq.br/1010366111082767Oliveira, Ramon Guerra deporreponame:Repositório Institucional da UFPBinstname:Universidade Federal da Paraíba (UFPB)instacron:UFPBinfo:eu-repo/semantics/openAccessTHUMBNAILRGO09032016.pdf.jpgRGO09032016.pdf.jpgIM Thumbnailimage/jpeg3788https://repositorio.ufpb.br/jspui/bitstream/123456789/1007/7/RGO09032016.pdf.jpg68083cc2616fab551772be47bc3ee888MD57TEXTRGO09032016.pdf.txtRGO09032016.pdf.txtExtracted texttext/plain40037https://repositorio.ufpb.br/jspui/bitstream/123456789/1007/6/RGO09032016.pdf.txtf759ba2445115cb2af4d672eacc78f9fMD56ORIGINALRGO09032016.pdfRGO09032016.pdfapplication/pdf2900552https://repositorio.ufpb.br/jspui/bitstream/123456789/1007/4/RGO09032016.pdf9b301189c8a07bafa5d08473b27ed2c4MD54LICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://repositorio.ufpb.br/jspui/bitstream/123456789/1007/2/license.txt8a4605be74aa9ea9d79846c1fba20a33MD52123456789/10072018-09-05 23:26:08.11oai:repositorio.ufpb.br:123456789/1007Tk9URTogUExBQ0UgWU9VUiBPV04gTElDRU5TRSBIRVJFClRoaXMgc2FtcGxlIGxpY2Vuc2UgaXMgcHJvdmlkZWQgZm9yIGluZm9ybWF0aW9uYWwgcHVycG9zZXMgb25seS4KCk5PTi1FWENMVVNJVkUgRElTVFJJQlVUSU9OIExJQ0VOU0UKCkJ5IHNpZ25pbmcgYW5kIHN1Ym1pdHRpbmcgdGhpcyBsaWNlbnNlLCB5b3UgKHRoZSBhdXRob3Iocykgb3IgY29weXJpZ2h0Cm93bmVyKSBncmFudHMgdG8gRFNwYWNlIFVuaXZlcnNpdHkgKERTVSkgdGhlIG5vbi1leGNsdXNpdmUgcmlnaHQgdG8gcmVwcm9kdWNlLAp0cmFuc2xhdGUgKGFzIGRlZmluZWQgYmVsb3cpLCBhbmQvb3IgZGlzdHJpYnV0ZSB5b3VyIHN1Ym1pc3Npb24gKGluY2x1ZGluZwp0aGUgYWJzdHJhY3QpIHdvcmxkd2lkZSBpbiBwcmludCBhbmQgZWxlY3Ryb25pYyBmb3JtYXQgYW5kIGluIGFueSBtZWRpdW0sCmluY2x1ZGluZyBidXQgbm90IGxpbWl0ZWQgdG8gYXVkaW8gb3IgdmlkZW8uCgpZb3UgYWdyZWUgdGhhdCBEU1UgbWF5LCB3aXRob3V0IGNoYW5naW5nIHRoZSBjb250ZW50LCB0cmFuc2xhdGUgdGhlCnN1Ym1pc3Npb24gdG8gYW55IG1lZGl1bSBvciBmb3JtYXQgZm9yIHRoZSBwdXJwb3NlIG9mIHByZXNlcnZhdGlvbi4KCllvdSBhbHNvIGFncmVlIHRoYXQgRFNVIG1heSBrZWVwIG1vcmUgdGhhbiBvbmUgY29weSBvZiB0aGlzIHN1Ym1pc3Npb24gZm9yCnB1cnBvc2VzIG9mIHNlY3VyaXR5LCBiYWNrLXVwIGFuZCBwcmVzZXJ2YXRpb24uCgpZb3UgcmVwcmVzZW50IHRoYXQgdGhlIHN1Ym1pc3Npb24gaXMgeW91ciBvcmlnaW5hbCB3b3JrLCBhbmQgdGhhdCB5b3UgaGF2ZQp0aGUgcmlnaHQgdG8gZ3JhbnQgdGhlIHJpZ2h0cyBjb250YWluZWQgaW4gdGhpcyBsaWNlbnNlLiBZb3UgYWxzbyByZXByZXNlbnQKdGhhdCB5b3VyIHN1Ym1pc3Npb24gZG9lcyBub3QsIHRvIHRoZSBiZXN0IG9mIHlvdXIga25vd2xlZGdlLCBpbmZyaW5nZSB1cG9uCmFueW9uZSdzIGNvcHlyaWdodC4KCklmIHRoZSBzdWJtaXNzaW9uIGNvbnRhaW5zIG1hdGVyaWFsIGZvciB3aGljaCB5b3UgZG8gbm90IGhvbGQgY29weXJpZ2h0LAp5b3UgcmVwcmVzZW50IHRoYXQgeW91IGhhdmUgb2J0YWluZWQgdGhlIHVucmVzdHJpY3RlZCBwZXJtaXNzaW9uIG9mIHRoZQpjb3B5cmlnaHQgb3duZXIgdG8gZ3JhbnQgRFNVIHRoZSByaWdodHMgcmVxdWlyZWQgYnkgdGhpcyBsaWNlbnNlLCBhbmQgdGhhdApzdWNoIHRoaXJkLXBhcnR5IG93bmVkIG1hdGVyaWFsIGlzIGNsZWFybHkgaWRlbnRpZmllZCBhbmQgYWNrbm93bGVkZ2VkCndpdGhpbiB0aGUgdGV4dCBvciBjb250ZW50IG9mIHRoZSBzdWJtaXNzaW9uLgoKSUYgVEhFIFNVQk1JU1NJT04gSVMgQkFTRUQgVVBPTiBXT1JLIFRIQVQgSEFTIEJFRU4gU1BPTlNPUkVEIE9SIFNVUFBPUlRFRApCWSBBTiBBR0VOQ1kgT1IgT1JHQU5JWkFUSU9OIE9USEVSIFRIQU4gRFNVLCBZT1UgUkVQUkVTRU5UIFRIQVQgWU9VIEhBVkUKRlVMRklMTEVEIEFOWSBSSUdIVCBPRiBSRVZJRVcgT1IgT1RIRVIgT0JMSUdBVElPTlMgUkVRVUlSRUQgQlkgU1VDSApDT05UUkFDVCBPUiBBR1JFRU1FTlQuCgpEU1Ugd2lsbCBjbGVhcmx5IGlkZW50aWZ5IHlvdXIgbmFtZShzKSBhcyB0aGUgYXV0aG9yKHMpIG9yIG93bmVyKHMpIG9mIHRoZQpzdWJtaXNzaW9uLCBhbmQgd2lsbCBub3QgbWFrZSBhbnkgYWx0ZXJhdGlvbiwgb3RoZXIgdGhhbiBhcyBhbGxvd2VkIGJ5IHRoaXMKbGljZW5zZSwgdG8geW91ciBzdWJtaXNzaW9uLgo=Repositório InstitucionalPUBhttps://repositorio.ufpb.br/oai/requestdiretoria@ufpb.bropendoar:25462018-09-06T02:26:08Repositório Institucional da UFPB - Universidade Federal da Paraíba (UFPB)false
dc.title.pt_BR.fl_str_mv Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
title Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
spellingShingle Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
Oliveira, Ramon Guerra de
CNPQ:Ciências da Saúde : Farmácia
Piperina
Inibição Enzimática
Docking Molecular
CYP3A4
title_short Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
title_full Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
title_fullStr Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
title_full_unstemmed Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
title_sort Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos
author Oliveira, Ramon Guerra de
author_facet Oliveira, Ramon Guerra de
author_role author
dc.contributor.advisor1.fl_str_mv Vasconcellos,Mário Luiz Araújo de Almeida
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/1010366111082767
dc.contributor.author.fl_str_mv Oliveira, Ramon Guerra de
contributor_str_mv Vasconcellos,Mário Luiz Araújo de Almeida
dc.subject.cnpq.fl_str_mv CNPQ:Ciências da Saúde : Farmácia
topic CNPQ:Ciências da Saúde : Farmácia
Piperina
Inibição Enzimática
Docking Molecular
CYP3A4
dc.subject.por.fl_str_mv Piperina
Inibição Enzimática
Docking Molecular
CYP3A4
description Piperine is the major alkaloid of Piper nigrum Linn., used as spice and in popular medicine. We present a molecular docking study supporting experimental data about the enhance in bioavailability of propranolol, theophylline, phenytoin, nevirapine, rifampicin, nimesulide, pyrazinamide , carbamazepine, and spartein in the presence of piperine. The complex formed with piperine and CYP3A4 was shown to be the most stable of all, with the binding energy of - 8.60 kcal/mol. This explain the related mechanism of interaction drug - herb, since the better anchoring of piperine in the active site of CYP3A4 can hinder the drug - enzyme interaction, increasing th e bioavailability of the considered drugs.
publishDate 2016
dc.date.accessioned.fl_str_mv 2016-03-09T14:48:07Z
dc.date.available.fl_str_mv 2016-03-09T14:48:07Z
dc.date.issued.fl_str_mv 2016-03-09
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/bachelorThesis
format bachelorThesis
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://repositorio.ufpb.br/jspui/handle/123456789/1007
url https://repositorio.ufpb.br/jspui/handle/123456789/1007
dc.language.iso.fl_str_mv por
language por
dc.relation.ispartofseries.none.fl_str_mv João Pessoa, PB: 2015.
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Universidade Federal da Paraíba
dc.publisher.initials.fl_str_mv UFPB
publisher.none.fl_str_mv Universidade Federal da Paraíba
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFPB
instname:Universidade Federal da Paraíba (UFPB)
instacron:UFPB
instname_str Universidade Federal da Paraíba (UFPB)
instacron_str UFPB
institution UFPB
reponame_str Repositório Institucional da UFPB
collection Repositório Institucional da UFPB
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