Results 21 to 30 of about 151,004 (296)

Discovery of novel anti-tumor compounds targeting PARP-1 with induction of autophagy through in silico and in vitro screening

Frontiers in Pharmacology, 2022
Poly (ADP-ribose) polymerase 1 (PARP-1) is a critical enzyme involved in DNA damage repair and recombination, and shows great potential for drug development in the treatment of cancers with defective DNA repair.
Danfeng Shi, Qianqian Pang, Qianyu Qin, Xinsheng Yao, Xiaojun Yao, Yang Yu   +5 more
doaj   +1 more source

Odor mixtures: A chord with silent notes

Frontiers in Ecology and Evolution, 2023
The olfactory world is one of complex mixtures and blends containing up to hundreds of molecules. Many of those molecules can act as agonists, antagonists or enhancers at different receptors.
Lu Xu, Dong-Jing Zou, Stuart Firestein
doaj   +1 more source

Biochemical pharmacology of the positive allosteric modulation of the GABAb receptor "in Vitro" and "in Vivo" [PDF]

, 2007
Allosteric modulators of G-protein coupled receptors (GPCRs) interact with binding sites on the receptor molecule that are topographically distinct from the classic orthosteric site.
Gjoni, Tina
core   +1 more source

Unraveling the Allosteric Cross-Talk Between Coactivator Peptide and Ligand Binding Site in Glucocorticoid Receptor [PDF]

, 2021
Glucocorticoid receptor (GR) is a nuclear receptor that controls critical biological processes by regulating thetranscription of specific genes. There is a known allosteric cross-talk between the ligand and coregulator bindingsites within the GR ligand ...
Giuseppina, La Sala, Andrey, Frolov, Christian, Tyrchan, Anders, Gunnarsson, karl, edman, anders, hogner   +5 more
core   +1 more source

Modulating Target Protein Biology Through the Re-mapping of Conformational Distributions Using Small Molecules

Frontiers in Chemistry, 2021
Over the last 10 years considerable progress has been made in the application of small molecules to modulating protein-protein interactions (PPIs), and the navigation from “undruggable” to a host of candidate molecules in clinical trials has been well ...
Alastair D. G. Lawson, Malcolm MacCoss, Dominique L. Baeten, Alex Macpherson, Jiye Shi, Alistair J. Henry   +5 more
doaj   +1 more source

Allosteric inhibition enhances the efficacy of ABL kinase inhibitors to target unmutated BCR-ABL and BCR-ABL-T315I [PDF]

, 2012
Background: Chronic myelogenous leukemia (CML) and Philadelphia chromosome-positive (Ph+) acute lymphatic leukemia (Ph + ALL) are caused by the t(9;22), which fuses BCR to ABL resulting in deregulated ABL-tyrosine kinase activity.
Ruimi, Nili, Martin Ruthardt, Mahajna, Jamal, Khateb, Mamduh, Jamal Mahajna, Ruthardt, Martin, Ottmann, Oliver G., Oliver Gerhard Ottmann, Mian, Afsar Ali, Nili Ruimi, Yousef Najajreh, Afsar Ali Mian, Ottmann, Oliver Gerhard, Susanne Badura, Metodieva, Anna, Najajreh, Yousef, Anna Metodieva, Mamduh Khateb, Badura, Susanne   +18 more
core   +2 more sources

Enhancement of Inhibitory Activity by Combining Allosteric Inhibitors Putatively Binding to Different Allosteric Sites on Cathepsin K

Molecules, 2023
Background: Cathepsin K, which is involved in bone resorption, is a good target for treating osteoporosis, but no clinically approved medicine has been developed.
Shun Sato, Kana Yamamoto, Moeno Ito, Katsutoshi Nishino, Takanao Otsuka, Kazuhiro Irie, Masaya Nagao   +6 more
doaj   +1 more source

Allosteric Regulation of SARS-CoV-2 Spike Protein Revealed by Contrastive Machine Learning [PDF]

, 2023
Allosteric regulation is common in protein-protein interactions and thus can be used in drug design. Nevertheless, the mechanism of allosteric regulation remains elusive for most proteins, including SARS-CoV-2 spike protein, despite extensive ...
Tao, Wei, Yong, Wei, Amy, Chen, Yuewei, Lin, Baofu, Qiao   +4 more
core   +1 more source

Light-regulated allosteric switch enables temporal and subcellular control of enzyme activity

eLife, 2020
Engineered allosteric regulation of protein activity provides significant advantages for the development of robust and broadly applicable tools. However, the application of allosteric switches in optogenetics has been scarce and suffers from critical ...
Mark Shaaya, Jordan Fauser, Anastasia Zhurikhina, Jason E Conage-Pough, Vincent Huyot, Martin Brennan, Cameron T Flower, Jacob Matsche, Shahzeb Khan, Viswanathan Natarajan, Jalees Rehman, Pradeep Kota, Forest M White, Denis Tsygankov, Andrei V Karginov   +14 more
doaj   +1 more source

Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation

Metabolites, 2023
Schistosomiasis is a neglected tropical disease with a significant socioeconomic impact. It is caused by several species of blood trematodes from the genus Schistosoma, with S. mansoni being the most prevalent.
Abdulrahim A. Alzain, Rua M. Mukhtar, Nihal Abdelmoniem, Fatima A. Elbadwi, Amira Hussien, Elrashied A. E. Garelnabi, Wadah Osman, Asmaa E. Sherif, Amgad I. M. Khedr, Kholoud F. Ghazawi, Waad A. Samman, Sabrin R. M. Ibrahim, Gamal A. Mohamed, Ahmed Ashour   +13 more
doaj   +1 more source