Results 11 to 20 of about 692,160 (279)

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   +2 more sources

The search for allosteric inhibitors

, 2013
This thesis describes the development of chemical tools that inhibit the sialidases NanA and NanB from Streptococcus pneumonia. The primary focus was on the discovery of allosteric inhibitors of NanA and NanB, however, promising inhibitors that act by binding at the active site of these enzymes were also investigated. Chapter 1 gives an overview of the
Brear, Paul
openaire   +3 more sources

First-in-class allosteric inhibitors of bacterial IMPDHs

European Journal of Medicinal Chemistry, 2019
Inosine-5'-monophosphate dehydrogenase (IMPDH) is an essential enzyme in many bacterial pathogens and is considered as a potential drug target for the development of new antibacterial agents. Our recent work has revealed the crucial role of one of the two structural domains (i.e.
Alexandre, Thomas, Lupan, Alexandru, Helynck, Olivier, Vichier-Guerre, Sophie, Dugué, Laurence, Gelin, Muriel, Haouz, Ahmed, Labesse, Gilles, Munier-Lehmann, Hélène   +8 more
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Study on SHP2 Conformational Transition and Structural Characterization of Its High-Potency Allosteric Inhibitors by Molecular Dynamics Simulations Combined with Machine Learning [PDF]

Molecules
The src-homology 2 domain-containing phosphatase 2 (SHP2) is a human cytoplasmic protein tyrosine phosphatase that plays a crucial role in cellular signal transduction. Aberrant activation and mutations of SHP2 are associated with tumor growth and immune
Baerlike Wujieti, Mingtian Hao, Erxia Liu, Luqi Zhou, Huanchao Wang, Yu Zhang, Wei Cui, Bozhen Chen   +7 more
doaj   +2 more sources

Rational Design of Allosteric and Selective Inhibitors of the Molecular Chaperone TRAP1

Cell Reports, 2020
Summary: TRAP1 is the mitochondrial paralog of the heat shock protein 90 (HSP90) chaperone family. Its activity as an energy metabolism regulator has important implications in cancer, neurodegeneration, and ischemia.
Carlos Sanchez-Martin, Elisabetta Moroni, Mariarosaria Ferraro, Claudio Laquatra, Giuseppe Cannino, Ionica Masgras, Alessandro Negro, Paolo Quadrelli, Andrea Rasola, Giorgio Colombo   +9 more
doaj   +3 more sources

Closantel is an Allosteric Inhibitor of Human Taspase1 [PDF]

SSRN Electronic Journal, 2021
Dimerization of Taspase1 activates an intrinsic serine protease function that leads to the catalytic Thr234 residue, which allows to catalyze the consensus sequence Q-3X-2D-1⋅G1X2D3D4, present in Trithorax family members and TFIIA. Noteworthy, Taspase1 performs only a single hydrolytic step on substrate proteins, which makes it impossible to screen for
Vanessa Luciano, Ewgenij Proschak, Julian D. Langer, Stefan Knapp, Jan Heering, Rolf Marschalek   +5 more
openaire   +5 more sources

Glycine Transporter 2: Mechanism and Allosteric Modulation

Frontiers in Molecular Biosciences, 2021
Neurotransmitter sodium symporters (NSS) are a subfamily of SLC6 transporters responsible for regulating neurotransmitter signalling. They are a major target for psychoactive substances including antidepressants and drugs of abuse, prompting substantial ...
Zachary J. Frangos, Ryan P. Cantwell Chater, Robert J. Vandenberg   +2 more
doaj   +1 more source

A multifunctional cross-validation high-throughput screening protocol enabling the discovery of new SHP2 inhibitors

Acta Pharmaceutica Sinica B, 2021
The protein tyrosine phosphatase Src homology phosphotyrosyl phosphatase 2 (SHP2) is implicated in various cancers, and targeting SHP2 has become a promising therapeutic approach.
Yihui Song, Min Zhao, Yahong Wu, Bin Yu, Hong-Min Liu   +4 more
doaj   +1 more source

Coarse-grained models of biomolecule dynamics and allostery [PDF]

, 2010
Recently, it has become increasingly accepted that thermal fluctuations take active part in functional tasks of biological molecules. We employ a set of coarse-grained models to investigate the mechanism of transmission of allosteric signal via spatial ...
Toncrova, Hedvika
core   +7 more sources

Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer’s Disease Therapy

Molecules, 2022
In over a century since its discovery, Alzheimer’s disease (AD) has continued to be a global health concern due to its incurable nature and overwhelming increase among older people. In this paper, we give an overview of the efforts of researchers towards
Samuel C. Ugbaja, Isiaka A. Lawal, Bahijjahtu H. Abubakar, Aganze G. Mushebenge, Monsurat M. Lawal, Hezekiel M. Kumalo   +5 more
doaj   +1 more source