Detalhe da pesquisa
1.
Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins.
J Chem Inf Model
; 61(4): 1859-1874, 2021 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33755448
2.
Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs.
J Chem Inf Model
; 57(10): 2424-2436, 2017 10 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28967750
3.
Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition.
Bioorg Med Chem Lett
; 22(17): 5563-8, 2012 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22858142
4.
The discovery of benzanilides as c-Met receptor tyrosine kinase inhibitors by a directed screening approach.
Bioorg Med Chem Lett
; 21(18): 5224-9, 2011 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-21835616
5.
Small molecule Son of Sevenless 1 (SOS1) inhibitors: a review of the patent literature.
Expert Opin Ther Pat
; 31(12): 1189-1204, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34253125
6.
A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series.
Bioorg Med Chem
; 18(12): 4405-14, 2010 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-20510621
7.
Chemists: AI Is Here; Unite To Get the Benefits.
J Med Chem
; 63(16): 8695-8704, 2020 08 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32459965
8.
Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?
Drug Discov Today
; 23(7): 1373-1384, 2018 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29577971
9.
An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.
J Med Chem
; 58(23): 9309-33, 2015 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-26580420
10.
Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice.
J Med Chem
; 57(3): 970-86, 2014 Feb 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-24422550
11.
Identification, optimization, and pharmacology of acylurea GHS-R1a inverse agonists.
J Med Chem
; 57(14): 6128-40, 2014 Jul 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-24967667
12.
Matched molecular pair analysis in drug discovery.
Drug Discov Today
; 18(15-16): 724-31, 2013 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-23557664
13.
(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J Med Chem
; 55(14): 6363-74, 2012 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-22742641
14.
Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors.
J Med Chem
; 55(20): 8827-37, 2012 Oct 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-22984809
15.
Stereoselective construction of the tricyclic core of neoliacinic acid.
J Org Chem
; 73(3): 1040-55, 2008 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-18171077
16.
Anomalous intramolecular C-H insertion reactions of rhodium carbenoids: factors influencing the reaction course and mechanistic implications.
J Org Chem
; 69(11): 3886-98, 2004 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-15153022
17.
Catalytic enantioselective intermolecular cycloadditions of 2-diazo-3,6-diketoester-derived carbonyl ylides with alkene dipolarophiles.
Proc Natl Acad Sci U S A
; 101(15): 5450-4, 2004 Apr 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-15037752