Computer modeling of the interaction between flavonoids and biological targets
- 1 February 2021
- journal article
- Published by PANORAMA Publishing House
- No. 2,p. 24-36
- https://doi.org/10.33920/med-13-2102-01
Abstract
Computer modeling is a method that is widely used in the scientific investigations. Every year it’s getting more and more popular and becomes an integral part of a number of scientific disciplines, including medical chemistry. Thanks to this method, specialists in the field of drug design can predict the biological activity of a compound and its toxicity, based on the structure of the molecule. This work is a systematic review of articles performed in accordance with the recommendations of PRISMA Preferred Reporting Items for Systematic Reviews and Meta-Analyses) and contains information on computer modeling of the interaction of flavonoids with biological targets.Keywords
This publication has 21 references indexed in Scilit:
- Molecular docking of a set of flavonoid compounds with Helicobacter pylori virulence factors CagA and VacAJournal of Herbmed Pharmacology, 2020
- Anxiolytic–like activity of 5–methoxyflavone in mice with involvement of GABAergic and serotonergic systems - in vivo and in silico evidencesEuropean Neuropsychopharmacology, 2020
- Food flavonoid ligand structure/estrogen receptor-α affinity relationships – toxicity or food functionality?Food and Chemical Toxicology, 2019
- Structure affinity relationship and docking studies of flavonoids as substrates of multidrug-resistant associated protein 2 (MRP2) in MDCK/MRP2 cellsFood Chemistry, 2019
- From in silico to in vitro: a trip to reveal flavonoid binding on the Rattus norvegicus Kir6.1 ATP-sensitive inward rectifier potassium channelPeerJ, 2018
- Three ABTS•+ radical cation-based approaches for the evaluation of antioxidant activity: fast- and slow-reacting antioxidant behaviorChemical Papers, 2018
- Isolation, characterization and in silico docking studies of synergistic estrogen receptor and #945; (ER and #945;) anticancer polyphenols from Syzygium alternifolium (Wt.) walp.Journal of Intercultural Ethnopharmacology, 2017
- Molecular Docking and Molecular Dynamics Simulation Studies to Predict Flavonoid Binding on the Surface of DENV2 E ProteinInterdisciplinary Sciences: Computational Life Sciences, 2016
- Inhibition of Angiotensin-Converting Enzyme Activity by Flavonoids: Structure-Activity Relationship StudiesPLOS ONE, 2012
- Evaluation of Selected Flavonoids as Antiangiogenic, Anticancer, and Radical Scavenging Agents: An Experimental and In Silico AnalysisCell Biochemistry and Biophysics, 2011