Results 1 to 10 of about 137,279 (309)

Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein

eLife, 2021
BLM (Bloom syndrome protein) is a RECQ-family helicase involved in the dissolution of complex DNA structures and repair intermediates. Synthetic lethality analysis implicates BLM as a promising target in a range of cancers with defects in the DNA damage ...
Xiangrong Chen, Yusuf I Ali, Charlotte EL Fisher, Raquel Arribas-Bosacoma, Mohan B Rajasekaran, Gareth Williams, Sarah Walker, Jessica R Booth, Jessica JR Hudson, S Mark Roe, Laurence H Pearl, Simon E Ward, Frances MG Pearl, Antony W Oliver   +13 more
doaj   +1 more source

Structure-Activity Relationships of Benzothiazole-Based Hsp90 C-Terminal-Domain Inhibitors

Pharmaceutics, 2021
Heat shock protein 90 (Hsp90) is a chaperone responsible for the maturation of many cancer-related proteins, and is therefore an important target for the design of new anticancer agents.
Jaka Dernovšek, Živa Zajec, Martina Durcik, Lucija Peterlin Mašič, Martina Gobec, Nace Zidar, Tihomir Tomašič   +6 more
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Angiotensinogen and the Modulation of Blood Pressure

Frontiers in Cardiovascular Medicine, 2021
The angiotensin peptides that control blood pressure are released from the non-inhibitory plasma serpin, angiotensinogen, on cleavage of its extended N-terminal tail by the specific aspartyl-protease, renin. Angiotensinogen had previously been assumed to
Zimei Shu, Jiahui Wan, Randy J. Read, Robin W. Carrell, Aiwu Zhou   +4 more
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Molecular Modeling of Allosteric Site of Isoform-Specific Inhibition of the Peroxisome Proliferator-Activated Receptor PPARγ

Biomolecules, 2022
The peroxisome proliferator-activated receptor gamma (PPARγ) is a nuclear receptor and controls a number of gene expressions. The ligand binding domain (LBD) of PPARγ is large and involves two binding sites: orthosteric and allosteric binding sites ...
Suliman Almahmoud, Haizhen A. Zhong
doaj   +1 more source

In Silico Discovery and Optimisation of a Novel Structural Class of Hsp90 C-Terminal Domain Inhibitors

Biomolecules, 2022
Hsp90 is a promising target for the development of novel agents for cancer treatment. The N-terminal Hsp90 inhibitors have several therapeutic limitations, the most important of which is the induction of heat shock response, which can be circumvented by ...
Živa Zajec, Jaka Dernovšek, Martina Gobec, Tihomir Tomašič   +3 more
doaj   +1 more source

The protein kinase CK1: Inhibition, activation, and possible allosteric modulation

Frontiers in Molecular Biosciences, 2022
Protein kinases play a vital role in biology and deregulation of kinases is implicated in numerous diseases ranging from cancer to neurodegenerative diseases, making them a major target class for the pharmaceutical industry.
Yashoda Krishna Sunkari, Laurent Meijer, Marc Flajolet   +2 more
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Developments in Non-Intercalating Bacterial Topoisomerase Inhibitors: Allosteric and ATPase Inhibitors of DNA Gyrase and Topoisomerase IV

Pharmaceuticals, 2023
Increases in antibiotic usage and antimicrobial resistance occurrence have caused a dramatic reduction in the effectiveness of many frontline antimicrobial treatments.
Scott Grossman, Colin W. G. Fishwick, Martin J. McPhillie   +2 more
doaj   +1 more source

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
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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

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