Results 21 to 30 of about 149,452 (339)

Discovery of novel allosteric effectors based on the predicted allosteric sites for Escherichia coli D-3-phosphoglycerate dehydrogenase. [PDF]

PLoS ONE, 2014
D-3-phosphoglycerate dehydrogenase (PGDH) from Escherichia coli catalyzes the first critical step in serine biosynthesis, and can be allosterically inhibited by serine.
Qian Wang, Yifei Qi, Ning Yin, Luhua Lai
doaj   +1 more source

Recent Advances in the Discovery of CK2 Allosteric Inhibitors: From Traditional Screening to Structure-Based Design

Molecules, 2020
Protein kinase (CK2) has emerged as an attractive cancer therapeutic target and recent efforts have been made to develop its inhibitors. However, the development of selective inhibitors remains challenging because of the highly conserved ATP-binding ...
Xiaolan Chen, Chunqiong Li, Dada Wang, Yu Chen, Na Zhang   +4 more
doaj   +1 more source

Untangling Dual-Targeting Therapeutic Mechanism of Epidermal Growth Factor Receptor (EGFR) Based on Reversed Allosteric Communication

Pharmaceutics, 2021
Dual-targeting therapeutics by coadministration of allosteric and orthosteric drugs is drawing increased attention as a revolutionary strategy for overcoming the drug-resistance problems.
Yuran Qiu, Xiaolan Yin, Xinyi Li, Yuanhao Wang, Qiang Fu, Renhua Huang, Shaoyong Lu   +6 more
doaj   +1 more source

Drugs for Allosteric Sites on Receptors [PDF]

Annual Review of Pharmacology and Toxicology, 2014
The presence of druggable, topographically distinct allosteric sites on a wide range of receptor families has offered new paradigms for small molecules to modulate receptor function. Moreover, ligands that target allosteric sites offer significant advantages over the corresponding orthosteric ligands in terms of selectivity, including subtype ...
Cody J, Wenthur, Patrick R, Gentry, Thomas P, Mathews, Craig W, Lindsley   +3 more
openaire   +2 more sources

Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach

Scientific Reports, 2023
Cancer has been viewed as one of the deadliest diseases worldwide. Among various types of cancer, breast cancer is the most common type of cancer in women.
Nisarg Rana, Dhaval Patel, Meet Parmar, Nandini Mukherjee, Prakash C. Jha, Anu Manhas   +5 more
doaj   +1 more source

Allosteric Antagonism of the Pregnane X Receptor (PXR): Current-State-of-the-Art and Prediction of Novel Allosteric Sites

Cells, 2022
The pregnane X receptor (PXR, NR1I2) is a xenobiotic-activated transcription factor with high levels of expression in the liver. It not only plays a key role in drug metabolism and elimination, but also promotes tumor growth, drug resistance, and ...
Rajamanikkam Kamaraj, Martin Drastik, Jana Maixnerova, Petr Pavek   +3 more
doaj   +1 more source

Allosteric mechanism for site-specific ubiquitination of FANCD2 [PDF]

Nature Chemical Biology, 2019
DNA-damage repair is implemented by proteins that are coordinated by specialized molecular signals. One such signal in the Fanconi anemia (FA) pathway for the repair of DNA interstrand crosslinks is the site-specific monoubiquitination of FANCD2 and FANCI.
Viduth K. Chaugule, Connor Arkinson, Martin L. Rennie, Outi Kämäräinen, Rachel Toth, Helen Walden   +5 more
openalex   +6 more sources

Cheminformatics Identification of Phenolics as Modulators of Penicillin-Binding Protein 2a of Staphylococcus aureus: A Structure–Activity-Relationship-Based Study

Pharmaceutics, 2022
The acquisition of penicillin-binding protein (PBP) 2a in resistant strains of Staphylococcus aureus allows for the continuous production of cell walls even after the inactivation of intrinsic PBPs. Thus, the discovery of novel therapeutics with enhanced
Jamiu Olaseni Aribisala, Saheed Sabiu
doaj   +1 more source

Novel dynamic residue network analysis approaches to study allosteric modulation: SARS-CoV-2 Mpro and its evolutionary mutations as a case study

Computational and Structural Biotechnology Journal, 2021
The rational search for allosteric modulators and the allosteric mechanisms of these modulators in the presence of mutations is a relatively unexplored field.
Olivier Sheik Amamuddy, Rita Afriyie Boateng, Victor Barozi, Dorothy Wavinya Nyamai, Özlem Tastan Bishop   +4 more
doaj   +1 more source

Analysis of Binding Site Hot Spots on the Surface of Ras GTPase [PDF]

, 2011
We have recently discovered an allosteric switch in Ras, bringing an additional level of complexity to this GTPase whose mutants are involved in nearly 30% of cancers.
Buhrman, Greg, Kearney, Bradley M., Kovrigina, Elizaveta A., Kovriguine, Evgueni, Kozakov, Dima, Mattos, Carla, Napoleon, Raeanne, O\u27Connor, Casey, Vajda, Sandor, Zerbe, Brandon   +9 more
core   +2 more sources