Zobrazeno 1 - 10
of 1 158
pro vyhledávání: '"computational prediction"'
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-19 (2024)
Abstract Diseases related to the central nervous system (CNS) are major health concerns and have serious social and economic impacts. Developing new drugs for CNS-related disorders presents a major challenge as it actively involves delivering drugs i
Externí odkaz:
https://doaj.org/article/521b58ee82c24e519b321ef50a06c591
Autor:
Kimberly T. To, Judy Strickland, Emily Reinke, Alexandre Borrel, Jim Truax, Heather Maldonado, Dave Allen, Nicole Kleinstreuer
Publikováno v:
BMC Bioinformatics, Vol 25, Iss 1, Pp 1-7 (2024)
Abstract Background Chemically induced skin sensitization, or allergic contact dermatitis, is a common occupational and public health issue. Regulatory authorities require an assessment of potential to cause skin sensitization for many chemical produ
Externí odkaz:
https://doaj.org/article/adb8f58888394cd0b2692c697f87c4c3
Publikováno v:
Frontiers in Immunology, Vol 15 (2024)
Externí odkaz:
https://doaj.org/article/1d81b130db84427c8e2571d5d6cfb241
Publikováno v:
Frontiers in Microbiology, Vol 15 (2024)
IntroductionThe identification of microbe–drug associations can greatly facilitate drug research and development. Traditional methods for screening microbe-drug associations are time-consuming, manpower-intensive, and costly to conduct, so computat
Externí odkaz:
https://doaj.org/article/5e963e31a3a540a0a7d0d21975537bff
Autor:
Mansi Rai, Namuna Paudel, Mesevilhou Sakhrie, Donato Gemmati, Inshad Ali Khan, Veronica Tisato, Anurag Kanase, Armin Schulz, Ajay Vikram Singh
Publikováno v:
Livers, Vol 3, Iss 3, Pp 448-462 (2023)
Biotransformation refers to the metabolic conversion of endogenous and xenobiotic chemicals into more hydrophilic substances. Xenobiotic biotransformation is accomplished by a restricted number of enzymes with broad substrate specificities. The biotr
Externí odkaz:
https://doaj.org/article/e1725347fc814b13b6bbdca4bceb425d
Autor:
Ahmed M. Naglah, Abdulrahman A. Almehizia, Asma S. Al-Wasidi, Amirah Senaitan Alharbi, Mohammed H. Alqarni, Ashraf S. Hassan, Wael M. Aboulthana
Publikováno v:
Pharmaceuticals, Vol 17, Iss 5, p 655 (2024)
In this innovative research, we aim to reveal pyrazole-based Schiff bases as new multi-target agents. In this context, we re-synthesized three sets of pyrazole-based Schiff bases, 5a–f, 6a–f, and 7a–f, to evaluate their biological applications.
Externí odkaz:
https://doaj.org/article/f570efa922de4fd7a95077e021525219
Autor:
María Rodríguez-López, Nicola Bordin, Jon Lees, Harry Scholes, Shaimaa Hassan, Quentin Saintain, Stephan Kamrad, Christine Orengo, Jürg Bähler
Publikováno v:
eLife, Vol 12 (2023)
Many proteins remain poorly characterized even in well-studied organisms, presenting a bottleneck for research. We applied phenomics and machine-learning approaches with Schizosaccharomyces pombe for broad cues on protein functions. We assayed colony
Externí odkaz:
https://doaj.org/article/1e2e0ac5bcd64e5a95d52821d8b5c76a
Autor:
Faranak Pooladian, Philip W. Crawford, Jonathan M. Kessler, Garrett R. Casey, Christina M. Ragain
Publikováno v:
Compounds, Vol 3, Iss 1, Pp 83-95 (2023)
The ability for density functional theory with the B3LYP functional with the lanl2dz basis set to predict the 1st (Wave 1) and 2nd (Wave 2) reductions of the diazine ring in a series of thirty-seven (37) 1,4-di-N-oxide quinoxaline-2-carboxamide deriv
Externí odkaz:
https://doaj.org/article/25083795109042c39caf8903138cdd3b
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Akademický článek
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