Results 31 to 40 of about 137,279 (309)

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

open access: yesPharmaceutics, 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

Bohr equation and the lost allosteric Bohr effects in symmetry

open access: yesBiophysics and Physicobiology, 2019
Bohr, Hasselbalch and Krogh demonstrated a group of sigmoid curves under various carbon dioxide contents in 1904. Hill fitted these curves in 1910 with Hill equation without the physical meanings of Hill coefficient and dissociation constant.
Lihsin Lee
doaj   +1 more source

Unravelling the allosteric binding mode of αD-VxXXB at nicotinic acetylcholine receptors

open access: yesFrontiers in Pharmacology, 2023
αD-conotoxins are 11 kDa homodimers that potently inhibit nicotinic acetylcholine receptors (nAChRs) through a non-competitive (allosteric) mechanism. In this study, we describe the allosteric binding mode of the granulin-like C-terminal (CTD) of VxXXB ...
Thao NT Ho   +2 more
doaj   +1 more source

Discovery of Potential GSK-3β Allosteric Modulators for Alzheimer’s Disease

open access: yes, 2023
Glycogen Synthase Kinase-3 beta (GSK-3β) is a validated target-enzyme associated with Alzheimer’s Disease (AD). Usage of allosteric inhibitors of this enzyme represents a valid and promising therapeutic strategy due to their selective and subtle ...
Alexander, Tropsha   +6 more
core   +1 more source

Sterically stabilized recombined HDL composed of modified apolipoprotein A-I for efficient targeting toward glioma cells

open access: yesDrug Delivery, 2020
Reconstituted high density lipoprotein (rHDL) has been regarded as a promising brain-targeting vehicle for anti-glioma drugs under the mediation of apolipoprotein A-I (apoA-I).
Jin Li   +6 more
doaj   +1 more source

PASSer: Prediction of Allosteric Sites Server

open access: yes, 2020
Allostery is considered important in regulating protein\u27s activity. Drug development depends on the understanding of allosteric mechanisms, especially the identification of allosteric sites, which is prerequisite in drug discovery and design.
Xi, Jiang, Peng, Tao, Hao, Tian
core   +1 more source

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

open access: yes, 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   +4 more
core   +1 more source

Dynamic extracellular vestibule of human SERT: unveiling druggable potential with novel high-affinity allosteric inhibitors

open access: yes, 2023
The serotonin transporter (SERT) tightly regulates synaptic serotonin levels and has been the primary target of antidepressants. Binding of inhibitors to the allosteric site of human SERT (hSERT) impedes the dissociation of antidepressants bound at the ...
Benny, Bang-Andersen   +6 more
core   +1 more source

Engineering allosteric communication

open access: yesCurrent Opinion in Structural Biology, 2020
Protein allostery is a vitally important protein function that has proven to be a vexing problem to understand at the molecular level. Allosteric communication is a hallmark of many protein functions. However, despite more than four decades of study the details regarding allosteric communication in protein systems are still being developed. Engineering
Zachary D, Herde   +5 more
openaire   +3 more sources

Correlation of N-glycan dynamics and interaction network with allosteric antigen binding and Fc receptor recognition

open access: yesExploration of Immunology, 2021
Aim: Fragment crystallizable (Fc) glycans modulate Fc conformations and functions, and glycan may also regulate antigen recognition. In the antibody drug development, glycosylation patterns affect antibody drug characteristics and quality control.
Buyong Ma
doaj   +1 more source

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