About this Research Topic
Epigenetics is an area that attracts the attention of drug designers, medicinal chemists, and scientists from other related areas. Epigenetics studies could be the tool for developing new drugs or founding new targets which allow modulating the biological response, ending with ameliorating disease phenotypes.
The high plasticity of epigenetic modifications in response to environmental signals makes epigenetics a novel territory for therapeutic drug design and discovery. Over the past few years, several drugs based on epigenetics have entered the clinical trials stage or even obtained regulatory approval.
The epigenetic tools, known as the Erasers, the Writers, and the Readers are becoming the pharmacological targets that are actively explored and several blockbusters have achieved the market already.
In this intensively developing field, the in silico methods, such as computational tools, molecular docking, or modeling, have covered great relevance. Computers have emerged as highly successful tools to speed up the whole complex drug discovery process, assisting in the lead selection, design, identification, and optimization of the lead compound.
The goal of this Research Topic is to provide an overall insight into the novel computational techniques that assist in epigenetic drugs design research - highlighting novel developments, current challenges, latest discoveries, recent advances, and future perspectives in the field.
In this article collection, we aim to address novel and classical in silico techniques that assist in the epigenetic drug design process: lead compound design, discovery, and optimization.
Original research articles and reviews are welcome for this Research Topic - especially those, which used or covered the following approaches:
Artificial Intelligence, molecular modeling, molecular dynamics simulation, molecular docking, virtual screening, QSAR, ADME-Tox assessment.
The high plasticity of epigenetic modifications in response to environmental signals makes epigenetics a novel territory for therapeutic drug design and discovery. Over the past few years, several drugs based on epigenetics have entered the clinical trials stage or even obtained regulatory approval.
The epigenetic tools, known as the Erasers, the Writers, and the Readers are becoming the pharmacological targets that are actively explored and several blockbusters have achieved the market already.
In this intensively developing field, the in silico methods, such as computational tools, molecular docking, or modeling, have covered great relevance. Computers have emerged as highly successful tools to speed up the whole complex drug discovery process, assisting in the lead selection, design, identification, and optimization of the lead compound.
The goal of this Research Topic is to provide an overall insight into the novel computational techniques that assist in epigenetic drugs design research - highlighting novel developments, current challenges, latest discoveries, recent advances, and future perspectives in the field.
In this article collection, we aim to address novel and classical in silico techniques that assist in the epigenetic drug design process: lead compound design, discovery, and optimization.
Original research articles and reviews are welcome for this Research Topic - especially those, which used or covered the following approaches:
Artificial Intelligence, molecular modeling, molecular dynamics simulation, molecular docking, virtual screening, QSAR, ADME-Tox assessment.
Keywords: Computational Tools, Epigenetic Drugs, Drug Discovery, Artificial Intelligence, Molecular Modeling, Molecular Dynamics Simulation, Molecular Docking, Medicinal Chemistry
Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.
