Zobrazeno 1 - 10
of 4 264
pro vyhledávání: '"Binding Free Energy"'
Autor:
Zhe Li, Mei-Yan Jiang, Runduo Liu, Quan Wang, Qian Zhou, Yi-You Huang, Yinuo Wu, Chang-Guo Zhan, Hai-Bin Luo
Publikováno v:
Acta Pharmaceutica Sinica B, Vol 14, Iss 12, Pp 5357-5369 (2024)
Accurate receptor/ligand binding free energy calculations can greatly accelerate drug discovery by identifying highly potent ligands. By simulating the change from one compound structure to another, the relative binding free energy (RBFE) change can
Externí odkaz:
https://doaj.org/article/ff830aced8fd4213a2fd0578606f3c13
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-15 (2024)
Abstract Cytosolic Glycerol-3-phosphate dehydrogenase 1 (GPD1, EC 1.1.1.8) plays a pivotal role in regulating the Embden-Meyerhof glucose glycolysis pathway (E-M pathway), as well as in conditions such as Huntington’s disease, cancer, and its poten
Externí odkaz:
https://doaj.org/article/1d748ee1fa5c43fdb0fcf4a717862acd
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-16 (2024)
Abstract Although the use of the tyrosine kinase inhibitors (TKIs) has been proved that it can save live in a cancer treatment, the currently used drugs bring in many undesirable side-effects. Therefore, the search for new drugs and an evaluation of
Externí odkaz:
https://doaj.org/article/85ebf61ae54640bd9e0ac820ceb6e9ea
Publikováno v:
In Computational and Structural Biotechnology Journal 2025 27:102-116
Autor:
Komal G. Lakhani, Rasmeih Hamid, Sheetal Gupta, Poojaben Prajapati, Ratna Prabha, Saumya Patel, Kirankumar P. Suthar
Publikováno v:
Frontiers in Nutrition, Vol 11 (2024)
Obesity, a prevalent global health concern, is characterized by excessive fat accumulation, which confers significant nutritional and health risks, including a shortened lifespan and diminished wellbeing. Central to the regulation of energy balance a
Externí odkaz:
https://doaj.org/article/2d98e57626444c8b955376fc4236da17
Publikováno v:
Royal Society Open Science, Vol 11, Iss 10 (2024)
Targeting acetylcholinesterase is one of the most important strategies for developing therapeutics against Alzheimer’s disease. In this work, we have employed a new approach that combines machine learning models, a multi-step similarity search of t
Externí odkaz:
https://doaj.org/article/456d7fd659f54220abe1c9097bde400e
Publikováno v:
Future Journal of Pharmaceutical Sciences, Vol 10, Iss 1, Pp 1-13 (2024)
Abstract Background Cucurbitacins are present in some common vegetables as secondary metabolites and are used by the plants against harmful microbes. Exploration of this capability of natural product based substances against wide variety of microbes
Externí odkaz:
https://doaj.org/article/8de9c7be4f3d4fbd99b1427fb766478a
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100480- (2024)
Mitotic kinesins are eukaryotic proteins that play a vital role in cellular mitosis. Their over-expression in malignant rather than normal cells and their specific cellular role made kinesin inhibitors a promising cancer therapeutics. The realization
Externí odkaz:
https://doaj.org/article/25254fafe29242f7b0c61eee76cdfc17
Publikováno v:
Notulae Scientia Biologicae, Vol 16, Iss 2 (2024)
The investigation employed cyclic voltammetry (CV) assays to assess the scavenging efficacy of two recently developed compounds, namely meso-tetramethophenyl-porphyrin TPPH2(o-methyl) and meso-tetrabiphenyl-porphyrin (TbiPPH2), against the superoxide
Externí odkaz:
https://doaj.org/article/690410cbf4f84202986a209a36a91a9b
Autor:
Bojin Chen, John Z. H. Zhang
Publikováno v:
Biophysica, Vol 3, Iss 4, Pp 651-667 (2023)
Serine hydroxymethyltransferase 2 (SHMT2) has garnered significant attention as a critical catalytic regulator of the serine/glycine pathway in the one-carbon metabolism of cancer cells. Despite its potential as an anti-cancer target, only a limited
Externí odkaz:
https://doaj.org/article/ac7f986c93364825a59ea23f5b42375b