Binding site characterization – similarity, promiscuity, and druggability-Reference-Cited by-同舟云学术

Binding site characterization – similarity, promiscuity, and druggability

Published:2019 Issue:7 Volume:10 Page:1145-1159
ISSN:2040-2503
Container-title:MedChemComm
language:en
Short-container-title:Med. Chem. Commun.

Author:

Ehrt Christiane¹²³⁴^ORCID,Brinkjost Tobias¹²³⁴⁵^ORCID,Koch Oliver¹²³⁴^ORCID

Affiliation:

1. Faculty of Chemistry and Chemical Biology

2. TU Dortmund University

3. Dortmund

4. Germany

5. Department of Computer Science

Abstract

Promiscuity as key to drug repurposing, off-target prediction, polypharmacology: What can be learned based on the comparison of binding sites and the description of their properties? Herein, we discuss binding site similarities with a special focus on medicinal chemistry.

Funder

Verband der Chemischen Industrie

Bundesministerium für Bildung und Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/MD/C9MD00102F

Reference70 articles.

1. Compound promiscuity: what can we learn from current data?

2. Polypharmacology by Design: A Medicinal Chemist’s Perspective on Multitargeting Compounds