Topics

Epigenetic drug discovery: systematic assessment of chemical space.

07:00 EST 8th November 2019 | BioPortfolio

Summary of "Epigenetic drug discovery: systematic assessment of chemical space."

The druggability of epigenetic targets has prompted researchers to develop small-molecule therapeutics. However, no systematic assessment has ever been done to investigate the chemical space of epigenetic modulators. Herein, we report a comprehensive chemoinformatic analysis of epigenetic ligands from EpiDBase, HEMD, ChEMBL and PubChem databases. Nearly, 0.45 × 10 ligands were analyzed for assay interference compounds, target profiling, drug-like properties and hit prioritization. After eliminating approximately 96,000 problematic compounds, the remaining 0.36 × 10 compounds were studied for their physicochemical distributions, principal component analysis and hit prioritization. More than 30% of assay interference compounds were determined for many proteins. This systematic assessment of epigenetic ligands will help in the enrichment of screening libraries with high-quality compounds and thus, the generation of efficacious drug candidates.

Affiliation

Journal Details

This article was published in the following journal.

Name: Future medicinal chemistry
ISSN: 1756-8927
Pages:

Links

DeepDyve research library

PubMed Articles [26979 Associated PubMed Articles listed on BioPortfolio]

Reaching for the bright StARs in chemical space.

Visualization of activity data in chemical space is common in drug discovery. Navigating the space in a systematic manner is not trivial, given its size and huge coverage. To this end, methods for dat...

An overview of late-stage functionalization in today's drug discovery.

: Late-stage functionalization (LSF) can introduce important chemical groups in the very last steps of the synthesis. LSF has the potential to speed up the preparation of novel chemical entities and d...

Chemogenomic Analysis of the Druggable Kinome and Its Application to Repositioning and Lead Identification Studies.

Owing to the intrinsic polypharmacological nature of most small-molecule kinase inhibitors, there is a need for computational models that enable systematic exploration of the chemogenomic landscape un...

Exploitation of the Ugi-Joullié reaction in drug discovery and development.

Multicomponent reactions are paramount in drug discovery for their ability to achieve high levels of diversity within the chemical space, generating complex structures from simple building blocks. Amo...

Drug Syntheses Beyond the Rule of 5.

Drugs in chemical space beyond the rule of 5 (bRo5) can modulate targets with difficult binding sites while retaining cell permeability and oral absorption. Reviewing the syntheses of bRo5 drugs appro...

Clinical Trials [7123 Associated Clinical Trials listed on BioPortfolio]

Transcriptional and Epigenetic Program of PCOS Women

The main goal is to reveal differences in global gene expression in two different adipose tissue (AT) depots of females with and without polycystic ovary syndrome (PCOS) and how these are ...

Epigenetic Biomarker for Advanced Osteosarcoma Using Famitinib and Camrelizumab

hMe-Seal is a low-input whole-genome cell-free 5hmC sequencing method based on selective chemical labeling. It uses β-glucosyltransferase (βGT) to selectively label 5hmC with a biotin vi...

Comparison of the Effectiveness of Povidone-Iodine Alone to Povidone-Iodine-Tetracycline Combination

Title of study: Comparison of the Effectiveness of Povidone-Iodine alone to Povidone-Iodine--Tetracycline Combination for Chemical Pleurodesis in Malignant Pleural Effusion. Researc...

Epigenetic Biomarker for Osteosarcoma

hMe-Seal is a low-input whole-genome cell-free 5hmC sequencing method based on selective chemical labeling. It uses β-glucosyltransferase (βGT) to selectively label 5hmC with a biotin vi...

Epigenetic Regulation of BDNF in Schizophrenia

In this proposal, we will (1) detect the associations between BDNF and Trk B gene DNA methylation, histone modification, psychotic symptoms, obesity, suicide and antipsychotic drug respons...

Medical and Biotech [MESH] Definitions

Systematic identification of a population's needs or the assessment of individuals to determine the proper level of services needed.

The systematic study of the global gene expression changes due to EPIGENETIC PROCESSES and not due to DNA base sequence changes.

The systematic search and discovery of natural substances which may have potential commercial applications.

The various ways of administering a drug or other chemical to a site in a patient or animal from where the chemical is absorbed into the blood and delivered to the target tissue.

The process of finding chemicals for potential therapeutic use.

Quick Search


DeepDyve research library

Relevant Topics

Epigenetics
The development and maintenance of an organism is orchestrated by a set of chemical reactions that switch parts of the genome off and on at strategic times and locations. Epigenetics is the study of these reactions and the factors that influence them. ...

Drug Discovery
Clinical Approvals Clinical Trials Drug Approvals Drug Delivery Drug Discovery Generics Drugs Prescription Drugs In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by which drugs are dis...


Searches Linking to this Article