Results 91 to 100 of about 79,838 (161)

De novo design of protein condensation inhibitors by targeting an allosteric site of cGAS. [PDF]

Nat Commun
Zhao W, Chen G, He J, Shen X, Xiong M, Xiong L, Qi Z, Xie H, Li W, Li J, Dou H, Hu H, Su H, Shao Q, Li M, Sun H, Xu Y.   +16 more
europepmc   +1 more source

Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site. [PDF]

Pharmaceutics, 2022
Suriya U, Mahalapbutr P, Rungrotmongkol T.   +2 more
europepmc   +1 more source

Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS-CoV-2 Mpro for Next-Generation PROTAC-Based Therapeutics. [PDF]

Arch Pharm (Weinheim)
Fassi EMA, Mekni N, Albani M, Maehrlein S, Weldert AC, Schirmeister T, Langer T, Razioso G.   +7 more
europepmc   +1 more source

Identification of a Novel Allosteric Site at the M₅ Muscarinic Acetylcholine Receptor. [PDF]

ACS Chem Neurosci, 2021
Burger WAC, Gentry PR, Berizzi AE, Vuckovic Z, van der Westhuizen ET, Thompson G, Yeasmin M, Lindsley CW, Sexton PM, Langmead CJ, Tobin AB, Christopoulos A, Valant C, Thal DM.   +13 more
europepmc   +1 more source

AlloBench: A Data Set Pipeline for the Development and Benchmarking of Allosteric Site Prediction Tools. [PDF]

ACS Omega
Maity D, Qiao B.
europepmc   +1 more source

A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies. [PDF]

Front Mol Biosci, 2022
Skeens E, Pantouris G, Shah D, Manjula R, Ombrello MJ, Maluf NK, Bhandari V, Lisi GP, Lolis EJ.   +8 more
europepmc   +1 more source

DeepAllo: allosteric site prediction using protein language model (pLM) with multitask learning. [PDF]

Bioinformatics
Khokhar M, Keskin O, Gursoy A.
europepmc   +1 more source

Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. [PDF]

Commun Biol, 2022
Srinivasan V, Brognaro H, Prabhu PR, de Souza EE, Günther S, Reinke PYA, Lane TJ, Ginn H, Han H, Ewert W, Sprenger J, Koua FHM, Falke S, Werner N, Andaleeb H, Ullah N, Franca BA, Wang M, Barra ALC, Perbandt M, Schwinzer M, Schmidt C, Brings L, Lorenzen K, Schubert R, Machado RRG, Candido ED, Oliveira DBL, Durigon EL, Niebling S, Garcia AS, Yefanov O, Lieske J, Gelisio L, Domaracky M, Middendorf P, Groessler M, Trost F, Galchenkova M, Mashhour AR, Saouane S, Hakanpää J, Wolf M, Alai MG, Turk D, Pearson AR, Chapman HN, Hinrichs W, Wrenger C, Meents A, Betzel C.   +50 more
europepmc   +1 more source

Ivermectin Binds to the Allosteric Site (Site 2) and Inhibits Allosteric Integrin Activation by TNF and Other Pro-Inflammatory Cytokines. [PDF]

Int J Mol Sci
Takada YK, Takada Y.
europepmc   +1 more source

In silico identification of a β₂-adrenoceptor allosteric site that selectively augments canonical β₂AR-Gs signaling and function. [PDF]

Proc Natl Acad Sci U S A, 2022
Shah SD, Lind C, De Pascali F, Penn RB, MacKerell AD, Deshpande DA.   +5 more
europepmc   +1 more source