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Docking studies to evaluate mushrooms low molecular weight compounds as inhibitors of the anti-apoptotic protein BCL-2

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dc.contributor.authorFroufe, Hugo J.C.
dc.contributor.authorAbreu, Rui M.V.
dc.contributor.authorBarros, Lillian
dc.contributor.authorFerreira, Isabel C.F.R.
dc.date.accessioned2013-01-07T11:26:22Z
dc.date.available2013-01-07T11:26:22Z
dc.date.issued2012
dc.description.abstractSeveral reports indicate that mushrooms have the ability to promote apoptosis in tumour cell lines, but the mechanism of action is not quite well understood. Inhibition of the interaction between Bcl-2 (anti-apoptotic protein) and pro-apoptotic proteins could be an important step that leads to apoptosis. Therefore, the discovery of compounds with the capacity to inhibit Bcl-2 is an ongoing research topic on cancer therapy. Herein, Autodock4 virtual screening was applied to a dataset of 40 low molecular weight compounds present in mushrooms, using 3D Bcl-2 protein structure (PDB:2XA0) as target. Results suggested that steroids mainly ergosta-4,6,8(14),22-tetraen-3-one, lucidenic lactone, cerevisterol, ganoderic acid w and ganoderic acid x, with a binding energy lower than -10 kcal/mol, had the ability to interact with Bcl-2.por
dc.identifier.citationFroufe, Hugo J.C.; Abreu, Rui M.V.; Barros, Lillian; Ferreira, Isabel C.F.R. (2012). Docking studies to evaluate mushrooms low molecular weight compounds as inhibitors of the anti-apoptotic protein BCL-2. In International Congress on Natural Products Research on Global Change, Natural Products and Human Health/8th Joint Meeting of AFERP, ASP, GA, PSE and SIF. New Yorkpor
dc.identifier.urihttp://hdl.handle.net/10198/7840
dc.language.isoengpor
dc.peerreviewedyespor
dc.relationBPD/4609/2008
dc.relationPortuguese Wild Mushrooms: Chemical characterization and functional study of antiproliferative and proapoptotic properties in cancer cell lines
dc.relationStrategic Project - UI 690 - 2011-2012
dc.titleDocking studies to evaluate mushrooms low molecular weight compounds as inhibitors of the anti-apoptotic protein BCL-2por
dc.typeconference paper
dspace.entity.typePublication
oaire.awardTitlePortuguese Wild Mushrooms: Chemical characterization and functional study of antiproliferative and proapoptotic properties in cancer cell lines
oaire.awardTitleStrategic Project - UI 690 - 2011-2012
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876-PPCDTI/PTDC%2FAGR-ALI%2F110062%2F2009/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/PEst-OE%2FAGR%2FUI0690%2F2011/PT
oaire.citation.conferencePlaceNew York city, USApor
oaire.citation.startPage1247por
oaire.citation.titlePlanta Medica; 8th Joint Meeting of AFERP, ASP, GA, PSE & SIF, 28th July-1st August 2012por
oaire.citation.volume78por
oaire.fundingStream5876-PPCDTI
oaire.fundingStream6817 - DCRRNI ID
person.familyNameAbreu
person.familyNameBarros
person.familyNameFerreira
person.givenNameRui M.V.
person.givenNameLillian
person.givenNameIsabel C.F.R.
person.identifier469085
person.identifier144781
person.identifier.ciencia-id0F19-0DE2-12A2
person.identifier.ciencia-id9616-35CB-D001
person.identifier.ciencia-id9418-CF95-9919
person.identifier.orcid0000-0002-7745-8015
person.identifier.orcid0000-0002-9050-5189
person.identifier.orcid0000-0003-4910-4882
person.identifier.ridJ-3600-2013
person.identifier.ridE-8500-2013
person.identifier.scopus-author-id7003290613
person.identifier.scopus-author-id35236343600
person.identifier.scopus-author-id36868826600
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspor
rcaap.typeconferenceObjectpor
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