Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?-Reference-Cited by-同舟云学术

Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?

Published:2018-09-24 Issue:9 Volume:3 Page:11742-11757
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Poongavanam Vasanthanathan¹^ORCID,Danelius Emma²,Peintner Stefan¹,Alcaraz Lilian³,Caron Giulia⁴^ORCID,Cummings Maxwell D.⁵,Wlodek Stanislaw⁶,Erdelyi Mate¹⁷^ORCID,Hawkins Paul C. D.⁶^ORCID,Ermondi Giuseppe⁴^ORCID,Kihlberg Jan¹^ORCID

Affiliation:

1. Department of Chemistry—BMC, Uppsala University, Box 576, SE-75123 Uppsala, Sweden

2. Department of Chemistry and Molecular Biology, University of Gothenburg, Kemivägen 10, SE-41296 Gothenburg, Sweden

3. Medicinal Chemistry, Johnson & Johnson Innovation, One Chapel Place, London W1G 0BG, U.K.

4. Department of Molecular Biotechnology and Health Sciences, University of Torino, Quarello 15, 10135 Torino, Italy

5. Janssen Research & Development, 1400 McKean Road, Spring House, Pennsylvania 19477, United States

6. OpenEye Scientific Software, 9 Bisbee Court, Santa Fe, New Mexico 87508, United States

7. The Swedish NMR Centre, Medicinaregatan 5, SE-405 30 Gothenburg, Sweden

Funder

Vetenskapsr?det

Janssen Pharmaceuticals

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b01379

Reference70 articles.

1. Structural Biology and Drug Discovery of Difficult Targets: The Limits of Ligandability

2. Development of a Rule-Based Method for the Assessment of Protein Druggability

3. The druggable genome

4. The Druggable Genome: Evaluation of Drug Targets in Clinical Trials Suggests Major Shifts in Molecular Class and Indication

5. Macrocyclic Drugs and Clinical Candidates: What Can Medicinal Chemists Learn from Their Properties?

Cited by 72 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Computational methods and key considerations for in silico design of proteolysis targeting chimera (PROTACs);International Journal of Biological Macromolecules;2024-10

2. Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics;Journal of Chemical Information and Modeling;2024-05-22

3. Synthesis and Functionalization of Azetidine‐Containing Small Macrocyclic Peptides;Chemistry – A European Journal;2024-04-09

4. Molecular chameleons in drug discovery;Nature Reviews Chemistry;2023-12-20

5. Addressing Challenges of Macrocyclic Conformational Sampling in Polar and Apolar Solvents: Lessons for Chameleonicity;Journal of Chemical Information and Modeling;2023-11-09