Results 221 to 230 of about 2,925,762 (288)

Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors. [PDF]

Comput Struct Biotechnol J
Omage FB, Salim JA, Mazoni I, Yano IH, Borro L, Gonzalez JEH, de Moraes FR, Giachetto PF, Tasic L, Arni RK, Neshich G.   +10 more
europepmc   +1 more source

Polydatin Alleviates APAP‐Induced Hepatotoxicity by Targeting C/EBPβ to Suppress the NLRP3 Inflammasome Signaling Pathway

iNew Medicine, EarlyView.
PD alleviates APAP‐induced ALI by inhibiting the NLRP3 inflammasome signaling pathway. C/EBPβ is identified as a direct target via multimethod validation. PD promotes the deacetylation of C/EBPβ via Sirt1. The Sirt1/C/EBPβ/NLRP3 signaling axis is defined for PD's hepatoprotective effect.
Tian‐Yu Yang, Chen Wang, Yi Ding, Wei‐Kang Zhang, Ling Zheng, Li Yue, Lei Zhang   +6 more
wiley   +1 more source

A novel lipid-triggered allosteric site modulates LC3-LIR receptor binding activity

Gahlot D, Castin J, Mathur S, Das D, Kumar A, Arun A, Gain C, Sharma M, Pal RK, Jain N, Biswal BK, Singh R, Thukral L.   +12 more
europepmc   +1 more source

ATP Citrate Lyase in Metabolic Disease: Mechanistic Insights and Clinical Potential

iNew Medicine, EarlyView.
ATP citrate lyase (ACLY) is a central metabolic hub that diverts mitochondrial citrate to fuel de novo lipogenesis, cholesterol biosynthesis, and protein acetylation. Given its robust correlation with pathological changes in multiple human diseases, ACLY inhibitors featuring distinct pharmacological strengths have been developed for therapeutic ...
Wenbiao Wang, Xinyan Li, Honglu Shi, Gaolei Song, Zhifu Xie, Jingya Li   +5 more
wiley   +1 more source

Identification of the pyridoxal 5'-phosphate allosteric site in human pyridox(am)ine 5'-phosphate oxidase. [PDF]

Protein Sci
Barile A, Graziani C, Antonelli L, Parroni A, Fiorillo A, di Salvo ML, Ilari A, Giorgi A, Rosignoli S, Paiardini A, Contestabile R, Tramonti A.   +11 more
europepmc   +1 more source

Research Progress of Berberine in Kidney Disease: Targeting Mitochondria and Ferroptosis

iNew Medicine, EarlyView.
This figure illustrates the model‐specific renoprotective mechanisms of berberine (BBR) across three major kidney diseases. From left to right, the diagram shows that BBR targets distinct core pathways depending on the pathological context: in diabetic nephropathy (DN), BBR activates AMPK to improve mitochondrial energy metabolism; in acute kidney ...
Liuqing Wang, Rongyu Guo, Xiaojun Feng, Liqin Tang   +3 more
wiley   +1 more source

New Hydrazone Derivatives Featuring Isatin and Piperazine Moieties: Synthesis, Cytotoxicity Evaluation, and Molecular Modeling Studies

Journal of Applied Toxicology, EarlyView.
ABSTRACT In this study, ten novel compounds (IPH1–IPH10) were designed by integrating three pharmacophores (isatin, piperazine, and hydrazone) commonly found in the molecular structures of anticancer agents. The target molecules were obtained by the reaction of in‐house prepared 4‐(4‐(pyridin/pyrimidin‐2‐yl)piperazin‐1‐yl)benzohydrazide with various ...
Semiha Köprü, Münevver Baran, Miyase Gözde Gündüz, Şengül Dilem Doğan   +3 more
wiley   +1 more source

Targeting Allosteric Site of PCSK9 Enzyme for the Identification of Small Molecule Inhibitors: An In Silico Drug Repurposing Study. [PDF]

Biomedicines
Charbe NB, Zacconi FC, Kowthavarapu VK, Gupta C, Palakurthi SS, Satheeshkumar R, Lokwani DK, Tambuwala MM, Palakurthi S.   +8 more
europepmc   +1 more source

Potential Neuroendocrine Disruption by Benzodiazepines and Its Impact on Male Fertility

Journal of Applied Toxicology, EarlyView.
ABSTRACT Neuroactive substances have emerged as potent endocrine disruptors affecting male reproductive health through central and peripheral mechanisms. Among these, benzodiazepines, which are widely used for the management of anxiety, insomnia, epilepsy, and neuromuscular disorders, are known as GABA A (gamma‐aminobutyric acid type A) receptor ...
Ana Clara Melo Andrade de Rodrigues, Julia Gonçalves Rodrigues, Marcos de Lucca Moreira Gomes, Fernanda Carolina Ribeiro Dias   +3 more
wiley   +1 more source

Correction: Suriya et al. Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site. <i>Pharmaceutics</i> 2022, <i>14</i>, 1461. [PDF]

Pharmaceutics
Suriya U, Mahalapbutr P, Rungrotmongkol T.   +2 more
europepmc   +1 more source