Results 71 to 80 of about 1,507,897 (295)

Systematic exploration of multiple drug binding sites

Journal of Cheminformatics, 2017
Background Targets with multiple (prerequisite or allosteric) binding sites have an increasing importance in drug design. Experimental determination of atomic resolution structures of ligands weakly bound to multiple binding sites is often challenging ...
Mónika Bálint, Norbert Jeszenői, István Horváth, David van der Spoel, Csaba Hetényi   +4 more
doaj   +1 more source

PICALM::MLLT10 translocated leukemia

FEBS Letters, EarlyView.
This comprehensive review of PICALM::MLLT10 translocated acute leukemia provides an in‐depth review of the structure and function of CALM, AF10, and the fusion oncoprotein (1). The multifaceted molecular mechanisms of oncogenesis, including nucleocytoplasmic shuttling (2), epigenetic modifications (3), and disruption of endocytosis (4), are then ...
John M. Cullen, Antonia C. Nakatsugawa, Natalie Barton, Henry Haines, Gary S. Stein, Janet L. Stein, Daniel S. Wechsler, Jessica L. Heath   +7 more
wiley   +1 more source

In Silico Analysis of C₆₀ Fullerene Interaction with TMPRSS2: Toward Novel COVID-19 Prevention Approaches

Molecules
The recent global spread of the SARS-CoV-2 pathogen, which causes COVID-19, and its rapid mutation, requires the fast development of effective preventive and treatment measures.
Vasyl Hurmach, Viacheslav Karaushu, Svitlana Prylutska, Zinaida Klestova, Sergiy Vyzhva, Yuriy Prylutskyy, Uwe Ritter, Vasil Garamus   +7 more
doaj   +1 more source

Computational identification of uncharacterized cruzain binding sites.

PLoS Neglected Tropical Diseases, 2010
Chagas disease, caused by the unicellular parasite Trypanosoma cruzi, claims 50,000 lives annually and is the leading cause of infectious myocarditis in the world.
Jacob D Durrant, Henrik Keränen, Benjamin A Wilson, J Andrew McCammon   +3 more
doaj   +1 more source

Decision letter for "Mapping co‐regulatory interactions among ligand‐binding sites in ryanodine receptor 1"

, 2021

openalex   +1 more source

Mutation in the TRKB cholesterol recognition site that blocks antidepressant binding does not influence the basal or BDNF-stimulated activation of TRKB [PDF]

, 2022
Caroline Biojone, Cecilia Cannarozzo, Nina Seiffert, Cassiano RAF Diniz, Cecilia A. Brunello, Eero Ċastrén, Plínio Casarotto   +6 more
openalex   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Inhibiting stearoyl‐CoA desaturase suppresses bone metastatic prostate cancer by modulating cellular stress, mTOR signaling, and DNA damage response

FEBS Letters, EarlyView.
Bone metastasis in prostate cancer (PCa) patients is a clinical hurdle due to the poor understanding of the supportive bone microenvironment. Here, we identify stearoyl‐CoA desaturase (SCD) as a tumor‐promoting enzyme and potential therapeutic target in bone metastatic PCa.
Alexis Wilson, Mackenzie K Herroon, Shane Mecca, Laimar C Garmo, Jacob Lindquist, Shrila Rajendran, Steve M. Patrick, Izabela Podgorski   +7 more
wiley   +1 more source

1080 Using site-specific chemical conjugation to generate superior half-life extended or PD-1-targeted formats of a potent IL-18 variant resistant to IL-18 binding protein [PDF]

, 2022
Jean Carralot, Camille Delon, Rubén Alvarez Sánchez, Roy A. Meoded, Philipp Moosman, Kea Martin, A. Goepfert, Andrew Chi, Vijaya Pattabiraman, Bertolt Kreft   +9 more
openalex   +1 more source

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

FEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee, Dimitrios Bekiari, Sofia Doello, Karl Forchhammer   +3 more
wiley   +1 more source