Zobrazeno 1 - 10
of 16
pro vyhledávání: '"H M, Torres"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-19 (2024)
Abstract Nuclear receptors (NRs) play a crucial role as biological targets in drug discovery. However, determining which compounds can act as endocrine disruptors and modulate the function of NRs with a reduced amount of candidate drugs is a challeng
Externí odkaz:
https://doaj.org/article/c22421c89d3a4596ba148a105dceb718
Autor:
Vitor Mendes, Simon R. Green, Joanna C. Evans, Jeannine Hess, Michal Blaszczyk, Christina Spry, Owain Bryant, James Cory-Wright, Daniel S-H. Chan, Pedro H. M. Torres, Zhe Wang, Navid Nahiyaan, Sandra O’Neill, Sebastian Damerow, John Post, Tracy Bayliss, Sasha L. Lynch, Anthony G. Coyne, Peter C. Ray, Chris Abell, Kyu Y. Rhee, Helena I. M. Boshoff, Clifton E. Barry, Valerie Mizrahi, Paul G. Wyatt, Tom L. Blundell
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
The bifunctional enzyme CoaBC catalyses the second and third step in the Coenzyme A (CoA) biosynthesis pathway and is of interest as a M. tuberculosis drug target. Here, the authors present the full-length crystal structure of Mycobacterium smegmatis
Externí odkaz:
https://doaj.org/article/dfbd7ac1fa2f42d49910fcdc7940c42e
Publikováno v:
Molecules, Vol 26, Iss 5, p 1224 (2021)
Probing protein surfaces to accurately predict the binding site and conformation of a small molecule is a challenge currently addressed through mainly two different approaches: blind docking and cavity detection-guided docking. Although cavity detect
Externí odkaz:
https://doaj.org/article/6b438ca0dbf14bc9a713eca2fb906d0a
Autor:
Stenio P Fragoso, Danielle P. Vieira, Felipe S. Coelho, Isabel C F Moreira, Adriana Cabanelas, Angela H. Lopes, Inês C. Gonçalves, Erica S. Martins-Duarte, Pedro G. Pascutti, Mauricio M. Oliveira, Pedro H M Torres
Publikováno v:
Molecular Microbiology. 116:890-908
The lipid mediators platelet-activating factor (PAF) and lysophosphatidylcholine (LPC) play relevant pathophysiological roles in Trypanosoma cruzi infection. Several species of LPC, including C18:1 LPC, which mimics the effects of PAF, are synthesize
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a2b4e3a0c3a061df441ee738145a70f
https://doi.org/10.1111/mmi.14778
https://doi.org/10.1111/mmi.14778
Publikováno v:
International Journal of Molecular Sciences, Vol 20, Iss 18, p 4574 (2019)
Molecular docking has been widely employed as a fast and inexpensive technique in the past decades, both in academic and industrial settings. Although this discipline has now had enough time to consolidate, many aspects remain challenging and there i
Externí odkaz:
https://doaj.org/article/b03442b9671d413c8cfa8490b0e5de8f
Autor:
Pedro H M Torres, Sharif Hala, Liviu Copoiu, Christopher A. Beaudoin, Tom L. Blundell, Ali F. Alsulami, Arian R. Jamasb, Andries J. van Tonder, Sherine E. Thomas, Bridget P. Bannerman, Sundeep Chaitanya Vedithi
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 3938-3953 (2021)
SummaryViruses often encode proteins that mimic host proteins in order to facilitate infection. Little work has been done to understand the potential mimicry of the SARS-CoV-2, SARS-CoV, and MERS-CoV spike proteins, particularly the receptor-binding
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ff7e4bdc87d686aaf05734ef6a413f8
http://www.sciencedirect.com/science/article/pii/S2001037021002798
http://www.sciencedirect.com/science/article/pii/S2001037021002798
Autor:
Sundeep Chaitanya Vedithi, Amanda K. Chaplin, Pedro H M Torres, Ismail Moghul, Tom L. Blundell, Sheikh Mohammed Arif, Ali F. Alsulami
Publikováno v:
Briefings in Bioinformatics
Mutations in hallmark genes are believed to be the main drivers of cancer progression. These mutations are reported in the Catalogue of Somatic Mutations in Cancer (COSMIC). Structural appreciation of where these mutations appear, in protein–protei
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ca8da94fa695abb08177fd1f2beaf64
Autor:
Marta Acebrón-García-de-Eulate, Tom L. Blundell, Pedro H M Torres, Sundeep Chaitanya Vedithi, Sony Malhotra, Modestas Matusevicius
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2021)
Frontiers in Molecular Biosciences
Frontiers in Molecular Biosciences
Leprosy, caused by Mycobacterium leprae (M. leprae), is treated with a multidrug regimen comprising Dapsone, Rifampicin, and Clofazimine. These drugs exhibit bacteriostatic, bactericidal and anti-inflammatory properties, respectively, and control the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8aca2d7c25b1f5cccc2430132b7333e0
Publikováno v:
Brief Bioinform
The rapid developments in gene sequencing technologies achieved in the recent decades, along with the expansion of knowledge on the three-dimensional structures of proteins, have enabled the construction of proteome-scale databases of protein models
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eb93d9670e372b967accfb51e2e1c98
https://doi.org/10.1093/bib/bbab182
https://doi.org/10.1093/bib/bbab182
Publikováno v:
Molecules, Vol 26, Iss 1224, p 1224 (2021)
Molecules
Volume 26
Issue 5
Molecules
Volume 26
Issue 5
Probing protein surfaces to accurately predict the binding site and conformation of a small molecule is a challenge currently addressed through mainly two different approaches: blind docking and cavity detection-guided docking. Although cavity detect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac5118648ae3c55aef9ef412cb97db0d
https://www.mdpi.com/1420-3049/26/5/1224
https://www.mdpi.com/1420-3049/26/5/1224