Zobrazeno 1 - 10
of 49
pro vyhledávání: '"Irfan Alibay"'
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-13 (2022)
Fragment-based drug design is an effective approach to identifying potential binders for a given target protein, but accurately capturing changes in affinity associated with a given set of chemical modifications remains challenging. Here, the authors
Externí odkaz:
https://doaj.org/article/a95d1b1c3d6f4cbf923dfd00f0673617
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-16 (2022)
Abstract The ion channel TRPA1 is a promiscuous chemosensor, with reported response to a wide spectrum of noxious electrophilic irritants, as well as cold, heat, and mechanosensation. It is also implicated in the inception of itch and pain and has he
Externí odkaz:
https://doaj.org/article/d0b544e3f16642cb8fb78a30db404113
Autor:
Petra Lukacik, C. David Owen, Gemma Harris, Jani Reddy Bolla, Sarah Picaud, Irfan Alibay, Joanne E. Nettleship, Louise E. Bird, Raymond J. Owens, Philip C. Biggin, Panagis Filippakopoulos, Carol V. Robinson, Martin A. Walsh
Publikováno v:
PLoS ONE, Vol 16, Iss 10 (2021)
Nontypeable Haemophilus influenzae (NTHi) is a significant pathogen in respiratory disease and otitis media. Important for NTHi survival, colonization and persistence in vivo is the Sap (sensitivity to antimicrobial peptides) ABC transporter system.
Externí odkaz:
https://doaj.org/article/e0a881dfff0a4bcfb91cb3fe4f1e1dcd
Autor:
Irfan Alibay, Jonathan Barnoud, Oliver Beckstein, Richard J. Gowers, Philip R. Loche, Hugo MacDermott-Opeskin, Micaela Matta, Fiona B. Naughton, Tyler Reddy, Lily Wang
Publikováno v:
Biophysical Journal. 122:420a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee315d290fa4dc7f8bde621f929e9987
https://doi.org/10.1016/j.bpj.2022.11.2277
https://doi.org/10.1016/j.bpj.2022.11.2277
Publikováno v:
Scientific reports. 12(1)
The ion channel TRPA1 is a promiscuous chemosensor, with reported response to a wide spectrum of noxious electrophilic irritants, as well as cold, heat, and mechanosensation. It is also implicated in the inception of itch and pain and has hence been
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3161c79536966fb560a541504eaa7ce7
https://pubmed.ncbi.nlm.nih.gov/35322090
https://pubmed.ncbi.nlm.nih.gov/35322090
Autor:
Fiona B. Naughton, Irfan Alibay, Jonathan Barnoud, Estefania Barreto-Ojeda, Oliver Beckstein, Cédric Bouysset, Orion Cohen, Richard J. Gowers, Hugo MacDermott-Opeskin, Micaela Matta, Manuel N. Melo, Tyler Reddy, Lily Wang, Yuxuan Zhuang
Publikováno v:
Biophysical Journal. 121:272a-273a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0894df2972072a36e452c3c1fb8f80d5
https://doi.org/10.1016/j.bpj.2021.11.1368
https://doi.org/10.1016/j.bpj.2021.11.1368
Autor:
Irfan Alibay, Richard A. Bryce
Publikováno v:
Alibay, I & Bryce, R A 2019, ' Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations ', Journal of Chemical Information and Modeling, vol. 59, no. 11, pp. 4729-4741 . https://doi.org/10.1021/acs.jcim.9b00529
The conformational flexibility of the glycosaminoglycans (GAGs) is known to be key in their binding and biological function, for example in regulating coagulation and cell growth. In this work, we employ enhanced sampling molecular dynamics simulatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9779414719953c385d597e683e4a6366
https://doi.org/10.1021/acs.jcim.9b00529
https://doi.org/10.1021/acs.jcim.9b00529
Autor:
Joanne E. Nettleship, Martin A. Walsh, Panagis Filippakopoulos, Sarah Picaud, Philip C. Biggin, Gemma Harris, Louise E. Bird, Petra Lukacik, Carol V. Robinson, Irfan Alibay, C. David Owen, Raymond J. Owens, Jani Reddy Bolla
Publikováno v:
PLoS ONE, Vol 16, Iss 10, p e0256070 (2021)
PLoS ONE
PLoS ONE, Vol 16, Iss 10 (2021)
PLoS ONE
PLoS ONE, Vol 16, Iss 10 (2021)
Nontypeable Haemophilus influenzae (NTHi) is a significant pathogen in respiratory disease and otitis media. Important for NTHi survival, colonization and persistence in vivo is the Sap (sensitivity to antimicrobial peptides) ABC transporter system.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43947534db5a9690a6847f30f538eff4
https://doaj.org/article/3848955c7713409e903d25b26102d894
https://doaj.org/article/3848955c7713409e903d25b26102d894
Publikováno v:
Biophysical Journal
Amino acid transport into the cell is often coupled to the proton electrochemical gradient, as found in the solute carrier (SLC) 36 family of proton coupled amino acid transporters (PATs). Although no structure of a human PAT exists, the crystal stru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b0f9f9fd450d6e552f77920d36009fc
https://doi.org/10.1101/606913
https://doi.org/10.1101/606913
Publikováno v:
Ivanov, S M, Huber, R G, Alibay, I, Warwicker, J & Bond, P J 2019, ' Energetic Fingerprinting of Ligand Binding to Paralogous Proteins : The Case of the Apoptotic Pathway ', Journal of Chemical Information and Modeling . https://doi.org/10.1021/acs.jcim.8b00765
Networks of biological molecules are key to cellular function, governing processes ranging from signal cascade propagation to metabolic pathway regulation. Genetic duplication processes give rise to sets of regulatory proteins that have evolved from
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2c0b1204247cfe198f43b6aa1ce5b0d
https://doi.org/10.1021/acs.jcim.8b00765
https://doi.org/10.1021/acs.jcim.8b00765