Zobrazeno 1 - 10
of 4 219
pro vyhledávání: '"binding free energy"'
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:
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
Publikováno v:
Molecules, Vol 29, Iss 15, p 3496 (2024)
Bromodomain-containing protein 9 (BRD9) is a key player in chromatin remodeling and gene expression regulation, and it is closely associated with the development of various diseases, including cancers. Recent studies have indicated that inhibition of
Externí odkaz:
https://doaj.org/article/daac6993a4bb45f790a7de7498967187
Publikováno v:
Molecules, Vol 29, Iss 14, p 3377 (2024)
Inhibiting MDM2-p53 interaction is considered an efficient mode of cancer treatment. In our current study, Gaussian-accelerated molecular dynamics (GaMD), deep learning (DL), and binding free energy calculations were combined together to probe the bi
Externí odkaz:
https://doaj.org/article/c05f452eac0a4adab667c1efc5170bb4
Autor:
Adedayo Ayodeji Lanrewaju, Abimbola Motunrayo Enitan-Folami, Saheed Sabiu, Feroz Mahomed Swalaha
Publikováno v:
Scientific African, Vol 23, Iss , Pp e02109- (2024)
Despite the global implementation of prequalified oral vaccines by the World Health Organization (WHO) in numerous countries, rotavirus A (RVA) have continued to be the principal cause of acute dehydrating diarrhoea in children under five years of ag
Externí odkaz:
https://doaj.org/article/ed594ff9890748e59ad103ded8ef8b2f
Autor:
Ehssan H. Moglad
Publikováno v:
Medicine in Novel Technology and Devices, Vol 21, Iss , Pp 100286- (2024)
Mycobacterium tuberculosis (Mtb) is responsible for the spread of tuberculosis (TB). The current study employed virtual screening of 2569 natural compounds against the DNA-directed RNA polymerase (RNAP) of Mtb to identify the possible binders that ca
Externí odkaz:
https://doaj.org/article/91a7cac77cb045b4bc5f68da90d61614