Inhibitors of DNA Methyltransferases From Natural Sources: A Computational Perspective
| Autor: | Alejandro Gómez-García, Javier Ruiz-Rios, Norberto Sánchez-Cruz, B. Angélica Pilón-Jiménez, David E. Chávez-Ponce de León, Fernanda I. Saldívar-González, José L. Medina-Franco |
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| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
Methyltransferase databases Computational biology Review Biology 01 natural sciences chemoinformatics drug discovery 03 medical and health sciences Pharmacology (medical) Epigenetics Pharmacology Virtual screening 010405 organic chemistry Drug discovery molecular modeling lcsh:RM1-950 similarity searching virtual screening Chemical space 0104 chemical sciences DNMT inhibitors lcsh:Therapeutics. Pharmacology 030104 developmental biology Cheminformatics Docking (molecular) chemical space Pharmacophore |
| Zdroj: | Frontiers in Pharmacology Frontiers in Pharmacology, Vol 9 (2018) |
| ISSN: | 1663-9812 |
| Popis: | Naturally occurring small molecules include a large variety of natural products from different sources that have confirmed activity against epigenetic targets. In this work we review chemoinformatic, molecular modeling, and other computational approaches that have been used to uncover natural products as inhibitors of DNA methyltransferases, a major family of epigenetic targets with therapeutic interest. Examples of computational approaches surveyed in this work are docking, similarity-based virtual screening, and pharmacophore modeling. It is also discussed the chemoinformatic-guided exploration of the chemical space of naturally occurring compounds as epigenetic modulators which may have significant implications in epigenetic drug discovery and nutriepigenetics. |
| Databáze: | OpenAIRE |
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