Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on ?2 adrenoceptor

Autor: Morgan, Bradley Angus, Jimenez Sigstad, Maria, Tran, Thuy Duong Zoe, Srivastava, Rohini, Bunsuz, Asuman, Hompluem, Pattarin, Cullum, Sean A., Harwood, Clare R., Koers, Eline J., Sykes, David A., Styles, Iain B., Veprintsev, Dmitry B.

G protein-coupled receptors (GPCRs) are valuable therapeutic targets for many diseases. A central question of GPCR drug discovery is to understand what determines the agonism or antagonism of ligands that bind them. Ligands exert their action via the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::fd9a08f8209a4c21b9ca76efefd4afd8

Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on β2 adrenoceptor.

Autor: Jiménez-Rosés, Mireia, Morgan, Bradley Angus, Sigstad, Maria Jimenez, Thuy Duong Zoe Tran, Srivastava, Rohini, Bunsuz, Asuman, Borrega-Román, Leire, Hompluem, Pattarin, Cullum, Sean A., Harwood, Clare R., Koers, Eline J., Sykes, David A., Styles, Iain B., Veprintsev, Dmitry B.

Publikováno v: Pharmacology Research & Perspectives; Oct2022, Vol. 10 Issue 5, p1-14, 14p

Structural basis of Δ ⁹ -THC analog activity at the Cannabinoid 1 receptor.

Autor: Gloriam D; University of Copenhagen., Thorsen T; University of Copenhagen., Kulkarni Y; University of Copenhagen., Sykes D; University of Nottingham., Bøggild A; Aarhus University., Drace T; Aarhus University., Hompluem P; University of Nottingham., Iliopoulos-Tsoutsouvas C; Northeastern University., Nikas S; Northeastern University., Daver H; University of Copenhagen., Makriyannis A; Northeastern University., Nissen P; Aarhus University., Gajhede M; University of Copenhagen., Veprintsev D; University of Nottingham., Boesen T; Aarhus University., Kastrup J; University of Copenhagen.

Publikováno v: Research square [Res Sq] 2024 May 21. Date of Electronic Publication: 2024 May 21.