The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery-Reference-Cited by-同舟云学术

The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery

Published:2017-05-05 Issue:16 Volume:60 Page:6781-6827
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Spyrakis Francesca¹,Ahmed Mostafa H.²^ORCID,Bayden Alexander S.³,Cozzini Pietro⁴,Mozzarelli Andrea⁵⁶^ORCID,Kellogg Glen E.²^ORCID

Affiliation:

1. Dipartimento di Scienza e Tecnologia del Farmaco, Università degli Studi di Torino, Via Pietro Giuria 9, 10125 Torino, Italy

2. Department of Medicinal Chemistry & Institute for Structural Biology, Drug Discovery and Development, Virginia Commonwealth University, Richmond, Virginia 23298-0540, United States

3. CMD Bioscience, 5 Science Park, New Haven, Connecticut 06511, United States

4. Dipartimento di Scienze degli Alimenti e del Farmaco, Laboratorio di Modellistica Molecolare, Università degli Studi di Parma, Parco Area delle Scienze 59/A, 43121 Parma, Italy

5. Dipartimento di Scienze degli Alimenti e del Farmaco, Laboratorio di Biochimica, Università degli Studi di Parma, Parco Area delle Scienze 23/A, 43121 Parma, Italy

6. Istituto di Biofisica, Consiglio Nazionale delle Ricerche, Via Moruzzi 1, 56124 Pisa, Italy

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.7b00057

Reference394 articles.

1. The genesis of high-throughput structure-based drug discovery using protein crystallography

2. BCX-1812 (RWJ-270201): Discovery of a Novel, Highly Potent, Orally Active, and Selective Influenza Neuraminidase Inhibitor through Structure-Based Drug Design

3. Pyrazole Urea-Based Inhibitors of p38 MAP Kinase: From Lead Compound to Clinical Candidate

4. Structure-based Drug Discovery Using GPCR Homology Modeling: Successful Virtual Screening for Antagonists of the Alpha1A Adrenergic Receptor

Cited by 118 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. Structure of the human dopamine transporter in complex with cocaine;Nature;2024-08-07

2. Water Plays Key Roles in Stabilities of Wild Type and Mutant Transthyretin Complexes;Journal of the American Society for Mass Spectrometry;2024-07-26

3. Influence of the Water Model on the Structure and Interactions of the GPR40 Protein with the Lipid Membrane and the Solvent: Rigid versus Flexible Water Models;Journal of Chemical Theory and Computation;2024-07-11

4. Three-Dimensional Interaction Homology: Deconstructing Residue–Residue and Residue–Lipid Interactions in Membrane Proteins;Molecules;2024-06-14

5. HydraProt: A New Deep Learning Tool for Fast and Accurate Prediction of Water Molecule Positions for Protein Structures;Journal of Chemical Information and Modeling;2024-03-29