Along the allostery stream: Recent advances in computational methods for allosteric drug discovery
Allostery is a universal, biological phenomenon in which orthosteric sites are fine‐tuned by
topologically distal allosteric sites triggered by perturbations, such as ligand binding, residue …
topologically distal allosteric sites triggered by perturbations, such as ligand binding, residue …
Dual COX-2/15-LOX inhibitors: A new avenue in the prevention of cancer
A Aliabadi, E Khanniri, M Mahboubi-Rabbani… - European journal of …, 2023 - Elsevier
Abstract Dual cyclooxygenase 2/15-lipoxygenase inhibitors constitute a valuable alternative
to classical non-steroidal anti-inflammatory drugs (NSAIDs) and selective COX-2 …
to classical non-steroidal anti-inflammatory drugs (NSAIDs) and selective COX-2 …
Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy
Allostery, which is one of the most direct and efficient methods to fine-tune protein functions,
has gained increasing recognition in drug discovery. However, there are several challenges …
has gained increasing recognition in drug discovery. However, there are several challenges …
Scutellarein alleviates chronic obstructive pulmonary disease through inhibition of ferroptosis by chelating iron and interacting with arachidonate 15‐lipoxygenase
L Liu, Y Zhang, L Wang, Y Liu, H Chen… - Phytotherapy …, 2023 - Wiley Online Library
Ferroptosis, an iron‐dependent cell death characterized by lethal lipid peroxidation, is
involved in chronic obstructive pulmonary disease (COPD) pathogenesis. Therefore …
involved in chronic obstructive pulmonary disease (COPD) pathogenesis. Therefore …
Allosteric activation of 15‐lipoxygenase‐1 by boswellic acid induces the lipid mediator class switch to promote resolution of inflammation
Specialized pro‐resolving mediators (SPM), primarily produced in innate immune cells,
exert crucial bioactions for resolving inflammation. Among various lipoxygenases (LOX), 15 …
exert crucial bioactions for resolving inflammation. Among various lipoxygenases (LOX), 15 …
[HTML][HTML] Targeting a cryptic allosteric site of SIRT6 with small-molecule inhibitors that inhibit the migration of pancreatic cancer cells
SIRT6 belongs to the conserved NAD+-dependent deacetylase superfamily and mediates
multiple biological and pathological processes. Targeting SIRT6 by allosteric modulators …
multiple biological and pathological processes. Targeting SIRT6 by allosteric modulators …
Shifting the biosynthesis of leukotrienes toward specialized pro-resolving mediators by the 5-lipoxygenase-activating protein (FLAP) antagonist BRP-201
Background and Purpose Lipid mediators (LM) play crucial roles in the complex
inflammation process with respect to initiation, maintenance, and resolution …
inflammation process with respect to initiation, maintenance, and resolution …
Allosteric type and pathways are governed by the forces of protein–ligand binding
Q Huang, P Song, Y Chen, Z Liu… - The Journal of Physical …, 2021 - ACS Publications
Allostery is central to many cellular processes, by up-or down-regulating target function.
However, what determines the allosteric type remains elusive and currently it is impossible …
However, what determines the allosteric type remains elusive and currently it is impossible …
Oxidative stress in the male germline: A review of novel strategies to reduce 4-hydroxynonenal production
Germline oxidative stress is intimately linked to several reproductive pathologies including a
failure of sperm-egg recognition. The lipid aldehyde 4-hydroxynonenal (4HNE) is …
failure of sperm-egg recognition. The lipid aldehyde 4-hydroxynonenal (4HNE) is …
Characterization of differential dynamics, specificity, and allostery of lipoxygenase family members
K Mikulska-Ruminska, I Shrivastava… - Journal of chemical …, 2019 - ACS Publications
Accurate modeling of structural dynamics of proteins and their differentiation across different
species can help us understand generic mechanisms of function shared by family members …
species can help us understand generic mechanisms of function shared by family members …