Ligand binding free energy and kinetics calculation in 2020
V Limongelli - Wiley Interdisciplinary Reviews: Computational …, 2020 - Wiley Online Library
Ligand/protein binding (LPB) is a major topic in medicine, chemistry and biology. Since the
advent of computers, many scientists have put efforts in developing theoretical models that …
advent of computers, many scientists have put efforts in developing theoretical models that …
The emerging role of bile acids as critical components in nanotechnology and bioengineering: Pharmacology, formulation optimizers and hydrogel-biomaterial …
B Kovacevic, M Jones, C Ionescu, D Walker, S Wagle… - Biomaterials, 2022 - Elsevier
The role of endogenous bile acids as lipid stabilizers aiding uptake of lipophilic nutrients via
micelle formation and saponification effects is well documented and precedes their growing …
micelle formation and saponification effects is well documented and precedes their growing …
A comprehensive review of recent advances in the biological activities of 1, 2, 4‐oxadiazoles
OM Hendawy - Archiv der Pharmazie, 2022 - Wiley Online Library
Nitrogen heterocycles play an essential role in medication development. The 1, 2, 4‐
oxadiazole heterocycle has been extensively studied, yielding a large variety of molecules …
oxadiazole heterocycle has been extensively studied, yielding a large variety of molecules …
In vitro anti-TB properties, in silico target validation, molecular docking and dynamics studies of substituted 1, 2, 4-oxadiazole analogues against Mycobacterium …
The alarming increase in multi-and extensively drug-resistant (MDR and XDR) strains of
Mycobacterium tuberculosis (MTB) has triggered the scientific community to search for …
Mycobacterium tuberculosis (MTB) has triggered the scientific community to search for …
[HTML][HTML] Room temperature synthesis of bioactive 1, 2, 4-oxadiazoles
1, 2, 4-Oxadiazole is an essential motif in drug discovery represented in many experimental,
investigational, and marketed drugs. This review covers synthetic methods that allow the …
investigational, and marketed drugs. This review covers synthetic methods that allow the …
[HTML][HTML] The liver under the spotlight: bile acids and oxysterols as pivotal actors controlling metabolism
C Lefort, PD Cani - Cells, 2021 - mdpi.com
Among the myriad of molecules produced by the liver, both bile acids and their precursors,
the oxysterols are becoming pivotal bioactive lipids which have been underestimated for a …
the oxysterols are becoming pivotal bioactive lipids which have been underestimated for a …
Structure-based screening for the discovery of 1, 2, 4-oxadiazoles as promising hits for the development of new anti-inflammatory agents interfering with eicosanoid …
M Potenza, M Sciarretta, MG Chini, A Saviano… - European Journal of …, 2021 - Elsevier
The multiple inhibition of biological targets involved in pro-inflammatory eicosanoid
biosynthesis represents an innovative strategy for treating inflammatory disorders in light of …
biosynthesis represents an innovative strategy for treating inflammatory disorders in light of …
[HTML][HTML] Bile acids: physiological activity and perspectives of using in clinical and laboratory diagnostics
Y Shansky, J Bespyatykh - Molecules, 2022 - mdpi.com
Bile acids play a significant role in the digestion of nutrients. In addition, bile acids perform a
signaling function through their blood-circulating fraction. They regulate the activity of …
signaling function through their blood-circulating fraction. They regulate the activity of …
[HTML][HTML] Synergism of a Novel 1,2,4-oxadiazole-containing Derivative with Oxacillin against Methicillin-Resistant Staphylococcus aureus
E Buommino, S De Marino, M Sciarretta, M Piccolo… - Antibiotics, 2021 - mdpi.com
Staphylococcus aureus is an important opportunistic pathogen that causes many infections
in humans and animals. The inappropriate use of antibiotics has favored the diffusion of …
in humans and animals. The inappropriate use of antibiotics has favored the diffusion of …
Structural basis for developing multitarget compounds acting on cysteinyl leukotriene receptor 1 and G-protein-coupled bile acid receptor 1
G-protein-coupled receptors (GPCRs) are the molecular target of 40% of marketed drugs
and the most investigated structures to develop novel therapeutics. Different members of the …
and the most investigated structures to develop novel therapeutics. Different members of the …