Literature DB >> 16257371

Computing chemistry on the web.

Igor V Tetko1.   

Abstract

The development of on-line software tools is changing the way we traditionally perform our analysis in drug design, but will chemoinformatics be forever behind bioinformatics in this development?

Mesh：

Year:  2005        PMID： 16257371     DOI： 10.1016/S1359-6446(05)03584-1

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN： 1359-6446            Impact factor:   7.851


  35 in total

1.  Communicating chemistry.

Authors:  Theresa Velden; Carl Lagoze
Journal:  Nat Chem       Date:  2009-12       Impact factor: 24.427

2.  Tuberculosis: finding a new potential antimycobacterium derivative in a aldehyde-arylhydrazone-oxoquinoline series.

Authors:  Fernanda da C Santos; Helena C Castro; Maria Cristina S Lourenço; Paula A Abreu; Pedro N Batalha; Anna C Cunha; Guilherme S L Carvalho; Carlos R Rodrigues; Cid A Medeiros; Simone D Souza; Vitor F Ferreira; Maria C B V de Souza
Journal:  Curr Microbiol       Date:  2012-07-08       Impact factor: 2.188

3.  ChemGPS-NP(Web): chemical space navigation online.

Authors:  Josefin Rosén; Anders Lövgren; Thierry Kogej; Sorel Muresan; Johan Gottfries; Anders Backlund
Journal:  J Comput Aided Mol Des       Date:  2008-12-10       Impact factor: 3.686

4.  QSAR application for the prediction of compound permeability with in silico descriptors in practical use.

Authors:  Kazuya Nakao; Masaaki Fujikawa; Ryo Shimizu; Miki Akamatsu
Journal:  J Comput Aided Mol Des       Date:  2009-02-25       Impact factor: 3.686

5.  BDDCS applied to over 900 drugs.

Authors:  Leslie Z Benet; Fabio Broccatelli; Tudor I Oprea
Journal:  AAPS J       Date:  2011-08-05       Impact factor: 4.009

6.  Repurposing the antihistamine terfenadine for antimicrobial activity against Staphylococcus aureus.

Authors:  Jessamyn I Perlmutter; Lauren T Forbes; Damian J Krysan; Katherine Ebsworth-Mojica; Jennifer M Colquhoun; Jenna L Wang; Paul M Dunman; Daniel P Flaherty
Journal:  J Med Chem       Date:  2014-10-06       Impact factor: 7.446

7.  Europium coordination complexes as potential anticancer drugs: their partitioning and permeation into lipid bilayers as revealed by pyrene fluorescence quenching.

Authors:  Valeriya Trusova; Andrey Yudintsev; Ludmila Limanskaya; Galyna Gorbenko; Todor Deligeorgiev
Journal:  J Fluoresc       Date:  2012-10-06       Impact factor: 2.217

8.  Esters of Pyrazinoic Acid Are Active against Pyrazinamide-Resistant Strains of Mycobacterium tuberculosis and Other Naturally Resistant Mycobacteria In Vitro and Ex Vivo within Macrophages.

Authors:  David Pires; Emília Valente; Marta Filipa Simões; Nuno Carmo; Bernard Testa; Luís Constantino; Elsa Anes
Journal:  Antimicrob Agents Chemother       Date:  2015-10-05       Impact factor: 5.191

9.  Discovery of Novel Multifunctional Ligands with μ/δ Opioid Agonist/Neurokinin-1 (NK1) Antagonist Activities for the Treatment of Pain.

Authors:  Aswini Kumar Giri; Christopher R Apostol; Yue Wang; Brittany L Forte; Tally M Largent-Milnes; Peg Davis; David Rankin; Gabriella Molnar; Keith M Olson; Frank Porreca; Todd W Vanderah; Victor J Hruby
Journal:  J Med Chem       Date:  2015-10-30       Impact factor: 7.446

10.  Design and in vitro activities of N-alkyl-N-[(8-R-2,2-dimethyl-2H-chromen-6-yl)methyl]heteroarylsulfonamides, novel, small-molecule hypoxia inducible factor-1 pathway inhibitors and anticancer agents.

Authors:  Jiyoung Mun; Adnan Abdul Jabbar; Narra Sarojini Devi; Shaoman Yin; Yingzhe Wang; Chalet Tan; Deborah Culver; James P Snyder; Erwin G Van Meir; Mark M Goodman
Journal:  J Med Chem       Date:  2012-07-24       Impact factor: 7.446
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