Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles-Reference-Cited by-同舟云学术

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Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles

Published:2019-07-30 Issue:21 Volume:62 Page:9418-9437
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Balazs Amber Y. S.¹,Carbajo Rodrigo J.²,Davies Nichola L.²,Dong Yu³,Hird Alexander W.¹,Johannes Jeffrey W.¹^ORCID,Lamb Michelle L.¹^ORCID,McCoull William²^ORCID,Raubo Piotr²,Robb Graeme R.²^ORCID,Packer Martin J.²,Chiarparin Elisabetta²^ORCID

Affiliation:

1. Chemistry, R&D Oncology, AstraZeneca, Waltham, Massachusetts 02451, United States

2. Chemistry, R&D Oncology, AstraZeneca, Cambridge CB4 0QA, United Kingdom

3. Pharmaron Beijing Co., Ltd., Beijing 100176, China

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.9b00716

Reference50 articles.

1. Accurate and Reliable Prediction of the Binding Affinities of Macrocycles to Their Protein Targets

2. Cell permeability beyond the rule of 5

3. Structure-Based Macrocycle Design in Small-Molecule Drug Discovery and Simple Metrics To Identify Opportunities for Macrocyclization of Small-Molecule Ligands

4. Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5

5. Macrocycles: lessons from the distant past, recent developments, and future directions

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4. Pharmaceutical Applications of Organofluorine Compounds.¹⁹F NMR Fragment‐Based Discovery;Patai's Chemistry of Functional Groups;2023-06-14

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