Results 1 to 10 of about 228,098 (300)

Taxifolin stability: In silico prediction and in vitro degradation with HPLC-UV/UPLC–ESI-MS monitoring

Journal of Pharmaceutical Analysis, 2021
Taxifolin has a plethora of therapeutic activities and is currently isolated from the stem bark of the tree Larix gmelinni (Dahurian larch). It is a flavonoid of high commercial interest for its use in supplements or in antioxidant-rich functional foods.
Fernanda Cristina Stenger Moura, Carmem Lúcia dos Santos Machado, Favero Reisdorfer Paula, Angélica Garcia Couto, Maurizio Ricci, Valdir Cechinel-Filho, Tiago J. Bonomini, Louis P. Sandjo, Tania Mari Bellé Bresolin   +8 more
doaj   +3 more sources

A Novel Workflow for In Silico Prediction of Bioactive Peptides: An Exploration of Solanum lycopersicum By-Products [PDF]

Biomolecules
Resource-intensive processes currently hamper the discovery of bioactive peptides (BAPs) from food by-products. To streamline this process, in silico approaches present a promising alternative.
Francesco Morena, Chiara Cencini, Eleonora Calzoni, Sabata Martino, Carla Emiliani   +4 more
doaj   +2 more sources

In silico prediction of heme binding in proteins [PDF]

J Biol Chem
The process of heme binding to a protein is prevalent in almost all forms of life to control many important biological properties, such as O2-binding, electron transfer, gas sensing or to build catalytic power. In these cases, heme typically binds tightly (irreversibly) to a protein in a discrete heme binding pocket, with one or two heme ligands ...
Marson N, Gallio A, Mandal S, Laskowski R, Raven E.   +4 more
europepmc   +5 more sources

Review: Bioavailability and Activity Prediction of Bioactive Compounds of Red Fruit (Pandanus conoideus Lam.) and Pandan Grape (Sararanga sinousa Hemsley) by in silico Method [PDF]

E3S Web of Conferences, 2022
Red Fruit (RF) and Pandan grape (PG) contained bioactive compounds that good for health. The structure influenced the availability and activity, including the interaction with another in the body.
Suprijono Maria Matoetina, Purnamasari Vita, Tandoro Yohanes   +2 more
doaj   +1 more source

In Silico Hemostasis Modeling and Prediction [PDF]

Hämostaseologie, 2020
AbstractComputational physiology, i.e., reproduction of physiological (and, by extension, pathophysiological) processes in silico, could be considered one of the major goals in computational biology. One might use computers to simulate molecular interactions, enzyme kinetics, gene expression, or whole networks of biochemical reactions, but it is (patho)
Dmitry Y, Nechipurenko, Aleksey M, Shibeko, Anastasia N, Sveshnikova, Mikhail A, Panteleev   +3 more
openaire   +2 more sources

In silico pK a prediction [PDF]

Journal of Cheminformatics, 2012
The biopharmaceutical profile of a compound depends directly on the dissociation constants of its acidic and basic groups, commonly expressed as the negative decadic logarithm pKa of the acid dissociation constant (Ka). The acid dissociation constant (also protonation or ionization constant) Ka is an equilibrium constant defined as the ratio of the ...
Körner, Robert, Sushko, Iurii, Novotarskyi, Sergii, Tetko, Igor V   +3 more
openaire   +1 more source

Identifying developability risks for clinical progression of antibodies using high-throughput in vitro and in silico approaches

mAbs, 2023
With the growing significance of antibodies as a therapeutic class, identifying developability risks early during development is of paramount importance.
Tushar Jain, Todd Boland, Maximiliano Vásquez   +2 more
doaj   +1 more source

In silico prediction of mutant HIV-1 proteases cleaving a target sequence [PDF]

, 2014
HIV-1 protease represents an appealing system for directed enzyme re-design, since it has various different endogenous targets, a relatively simple structure and it is well studied.
De Vico, Luca, Jensen, Jan H., Willemoës, Martin, Winther, Jakob R.   +3 more
core   +11 more sources

Development of Simple and Accurate in Silico Ligand-Based Models for Predicting ABCG2 Inhibition

Frontiers in Chemistry, 2022
The ATP binding cassette transporter ABCG2 is a physiologically important drug transporter that has a central role in determining the ADMET (absorption, distribution, metabolism, elimination, and toxicity) profile of therapeutics, and contributes to ...
Shuheng Huang, Shuheng Huang, Yingjie Gao, Xuelian Zhang, Ji Lu, Jun Wei, Hu Mei, Juan Xing, Xianchao Pan   +8 more
doaj   +1 more source

A practical, bioinformatic workflow system for large data sets generated by next-generation sequencing [PDF]

, 2010
Transcriptomics (at the level of single cells, tissues and/or whole organisms) underpins many fields of biomedical science, from understanding the basic cellular function in model organisms, to the elucidation of the biological events that govern the ...
Aaron R. Jex, Altschul, Anja Joachim, Ashburner, Bentley, Bethony, Björnberg, Blaxter, Boag, Bronwyn E. Campbell, Caffrey, Campbell, Cantacessi, Cantacessi, Cantacessi, Cantacessi, Chan, Chang, Cinzia Cantacessi, Clifton, Conesa, Cottee, Cottee, Datu, DeRisi, Doyle, Flicek, Freigofas, Gasser, Golden, Greene, Gupta, Hawdon, Hopkins, Hotez, Hu, Huang, Hunter, Iseli, Jackson, Joachim, Joachim, Keil, Krasky, Letunic, Li, Li, Li, Lipinski, Makedonka Mitreva, Margulies, Matthew J. Nolan, McKay, Metzker, Miller, Miller, Mizuarai, Moreno, Morozova, Moser, Mufson, Mulvenna, Nagaraj, Nagaraj, Neil D. Young, Nikolaou, Nisbet, Olson, Parkinson, Paul W. Sternberg, Pong, Portman, Ranganathan, Ren, Robertson, Robin B. Gasser, Robinson, Ross S. Hall, Sahar Abubucker, Sanger, Sanger, Santos, Shoba Ranganathan, Soderlund, Stathopoulos, Stockdale, Tanaka, Vibranovski, Wang, Williamson, Wilson, Wu, Young, Young, Zhan, Zhong   +95 more
core   +6 more sources