Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores-Reference-Cited by-同舟云学术

Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores

Published:2023 Issue:1 Volume:14 Page:135-143
ISSN:2632-8682
Container-title:RSC Medicinal Chemistry
language:en
Short-container-title:RSC Med. Chem.

Author:

Whitehouse Rebecca L.¹^ORCID,Alwan Wesam S.¹,Ilyichova Olga V.¹²³,Taylor Ashley J.¹^ORCID,Chandrashekaran Indu R.¹³⁴,Mohanty Biswaranjan¹^ORCID,Doak Bradley C.¹³⁴^ORCID,Scanlon Martin J.¹³⁴^ORCID

Affiliation:

1. Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia

2. Australian Synchrotron, ANSTO, Clayton, VIC 3168, Australia

3. ARC Training Centre for Fragment Based Design, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia

4. Monash Fragment Platform, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia

Abstract

Small molecule interaction hotpots were identified by screening small, low complexity fragments using X-ray crystallography. These hot spots include cryptic pockets and provide pharmacophore mapping that may be used in structure-based drug design.

Funder

Australian Research Council

Commonwealth Scientific and Industrial Research Organisation

Publisher

Royal Society of Chemistry (RSC)

Subject

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

Link

http://pubs.rsc.org/en/content/articlepdf/2023/MD/D2MD00253A

Reference45 articles.

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5. A Hot Spot of Binding Energy in a Hormone-Receptor Interface

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