Literature DB >> 24856517

Physicochemical descriptors of aromatic character and their use in drug discovery.

Timothy J Ritchie1, Simon J F Macdonald.   

Abstract

Published physicochemical descriptors of molecules that convey aromaticity-related character are reviewed in the context of drug design and discovery. Studies that have employed aromatic descriptors are discussed, and several descriptors are compared and contrasted.

Mesh：

Substances：

Year:  2014        PMID： 24856517     DOI： 10.1021/jm500515d

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


  10 in total

1.  Discovery of N-(Indazol-3-yl)piperidine-4-carboxylic Acids as RORγt Allosteric Inhibitors for Autoimmune Diseases.

Authors:  Hongjun Zhang; Blair T Lapointe; Neville Anthony; Rita Azevedo; Jos Cals; Craig C Correll; Matthew Daniels; Sujal Deshmukh; Hans van Eenenaam; Heidi Ferguson; Laxminarayan G Hegde; Willem Jan Karstens; John Maclean; J Richard Miller; Lily Y Moy; Vladimir Simov; Sunil Nagpal; Arthur Oubrie; Rachel L Palte; Gopal Parthasarathy; Nunzio Sciammetta; Mario van der Stelt; Janice D Woodhouse; B Wesley Trotter; Kenneth Barr
Journal:  ACS Med Chem Lett       Date:  2020-01-09       Impact factor: 4.345

2.  The influence of hydrogen bonding on partition coefficients.

Authors:  Nádia Melo Borges; Peter W Kenny; Carlos A Montanari; Igor M Prokopczyk; Jean F R Ribeiro; Josmar R Rocha; Geraldo Rodrigues Sartori
Journal:  J Comput Aided Mol Des       Date:  2017-01-04       Impact factor: 3.686

Review 3.  Expanding the medicinal chemistry synthetic toolbox.

Authors:  Jonas Boström; Dean G Brown; Robert J Young; György M Keserü
Journal:  Nat Rev Drug Discov       Date:  2018-08-24       Impact factor: 84.694

4.  Exploiting Imine Photochemistry for Masked N-Centered Radical Reactivity.

Authors:  Daryl Staveness; James L Collins; Rory C McAtee; Corey R J Stephenson
Journal:  Angew Chem Int Ed Engl       Date:  2019-11-08       Impact factor: 15.336

5.  Structure-Based Optimization of Small-Molecule Inhibitors for the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction.

Authors:  Min Zhang; Zhen Wang; Yongqiang Zhang; Wenxing Guo; Haitao Ji
Journal:  J Med Chem       Date:  2018-03-29       Impact factor: 7.446

6.  Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases.

Authors:  Peter Blomgren; Jayaraman Chandrasekhar; Julie A Di Paolo; Wanchi Fung; Guoju Geng; Carmen Ip; Randall Jones; Jeffrey E Kropf; Eric B Lansdon; Seung Lee; Jennifer R Lo; Scott A Mitchell; Bernard Murray; Chris Pohlmeyer; Aaron Schmitt; Kimberly Suekawa-Pirrone; Sarah Wise; Jin-Ming Xiong; Jianjun Xu; Helen Yu; Zhongdong Zhao; Kevin S Currie
Journal:  ACS Med Chem Lett       Date:  2020-02-12       Impact factor: 4.345

7.  Trends in Hit-to-Lead Optimization Following DNA-Encoded Library Screens.

Authors:  Christopher A Reiher; David P Schuman; Nicholas Simmons; Scott E Wolkenberg
Journal:  ACS Med Chem Lett       Date:  2021-02-11       Impact factor: 4.345

8.  A systematic analysis of atomic protein-ligand interactions in the PDB.

Authors:  Renato Ferreira de Freitas; Matthieu Schapira
Journal:  Medchemcomm       Date:  2017-09-26       Impact factor: 3.597

9.  Aromatic clusters in protein-protein and protein-drug complexes.

Authors:  Esteban Lanzarotti; Lucas A Defelipe; Marcelo A Marti; Adrián G Turjanski
Journal:  J Cheminform       Date:  2020-05-08       Impact factor: 5.514

10.  A Comprehensive Cheminformatics Analysis of Structural Features Affecting the Binding Activity of Fullerene Derivatives.

Authors:  Natalja Fjodorova; Marjana Novič; Katja Venko; Bakhtiyor Rasulev
Journal:  Nanomaterials (Basel)       Date:  2020-01-02       Impact factor: 5.076
  10 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.