Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions-Reference-Cited by-同舟云学术

Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions

Published:2023-11-28 Issue:23 Volume:66 Page:15883-15893
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Hong Richard S.¹^ORCID,Rojas Ana V.²^ORCID,Bhardwaj Rajni Miglani¹^ORCID,Wang Lingle²^ORCID,Mattei Alessandra¹^ORCID,Abraham Nathan S.³,Cusack Kevin P.¹,Pierce M. Olivia⁴,Mondal Sayan²,Mehio Nada¹,Bordawekar Shailendra¹,Kym Philip R.¹,Abel Robert²,Sheikh Ahmad Y.¹^ORCID

Affiliation:

1. AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States

2. Schrödinger Inc., 1540 Broadway 24th Floor, New York, New York 10036, United States

3. Ventus Therapeutics 100 Beaver St, Waltham, Massachusetts 02453, United States

4. Bristol Myer Squibb, 100 Binney Street, Cambridge, Massachusetts 02142, United States

Funder

AbbVie

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.3c01339

Reference39 articles.

1. Harnessing the therapeutic potential of anticancer drugs through amorphous solid dispersions

2. Guiding Lead Optimization for Solubility Improvement with Physics-Based Modeling

3. Preclinical Formulations: Insight, Strategies, and Practical Considerations

4. Discovery solubility measurement and assessment of small molecules with drug development in mind

5. Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules

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