Detalles de la búsqueda
1.
Identification of a new and diverse set of Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) inhibitors using structure-based virtual screening: Experimental validation and molecular dynamics studies.
Bioorg Med Chem Lett
; 76: 129008, 2022 11 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36174837
2.
Curation and cheminformatics analysis of a Ugi-reaction derived library (URDL) of synthetically tractable small molecules for virtual screening application.
Mol Divers
; 2022 Dec 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-36574164
3.
Tubulin inhibitory activity of a novel colchicine-binding compounds based on a dinaphthospiropyranran scaffold.
Bioorg Med Chem
; 29: 115874, 2021 01 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-33223461
4.
Identification of antimalarial leads with dual falcipain-2 and falcipain-3 inhibitory activity.
Bioorg Med Chem
; 28(1): 115155, 2020 01 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-31744777
5.
Histone methyltransferase inhibitors are orally bioavailable, fast-acting molecules with activity against different species causing malaria in humans.
Antimicrob Agents Chemother
; 59(2): 950-9, 2015 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-25421480
6.
Unlocking the Immunomodulatory Potential of Rosmarinic Acid Isolated from Punica granatum L. Using Bioactivity-Guided Approach: In Silico, In Vitro, and In Vivo Approaches.
Curr Med Chem
; 2024 Mar 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-38445701
7.
Basic Nitrogen (BaN) Is a Key Property of Antimalarial Chemical Space.
J Med Chem
; 66(13): 8382-8406, 2023 07 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-37357390
8.
Identification of synthetically tractable MERS-CoV main protease inhibitors using structure-based virtual screening and molecular dynamics potential of mean force (PMF) calculations.
J Biomol Struct Dyn
; : 1-11, 2023 Nov 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37978909
9.
Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur J Med Chem
; 258: 115604, 2023 Oct 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-37399710
10.
2-Substituted 4,5-dihydrothiazole-4-carboxylic acids are novel inhibitors of metallo-ß-lactamases.
Bioorg Med Chem Lett
; 22(19): 6229-32, 2012 Oct 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-22921080
11.
Non-hydroxamate inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase (DXR): A critical review and future perspective.
Eur J Med Chem
; 213: 113055, 2021 Mar 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33303239
12.
Physicochemical Profiling and Comparison of Research Antiplasmodials and Advanced Stage Antimalarials with Oral Drugs.
ACS Omega
; 6(9): 6424-6437, 2021 Mar 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-33718733
13.
Use of a molecular beacon based fluorescent method for assaying uracil DNA glycosylase (Ung) activity and inhibitor screening.
Biochem Biophys Rep
; 26: 100954, 2021 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-33665381
14.
Quantitative Proteomics Reveals that Hsp90 Inhibition Dynamically Regulates Global Protein Synthesis in Leishmania mexicana.
mSystems
; 6(3)2021 May 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-33975965
15.
New PPARgamma ligands based on barbituric acid: virtual screening, synthesis and receptor binding studies.
Bioorg Med Chem Lett
; 18(18): 4959-62, 2008 Sep 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-18752947
16.
New PPARgamma ligands based on 2-hydroxy-1,4-naphthoquinone: computer-aided design, synthesis, and receptor-binding studies.
Bioorg Med Chem Lett
; 18(11): 3192-5, 2008 Jun 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-18482837
17.
Histone lysine methyltransferase structure activity relationships that allow for segregation of G9a inhibition and anti-Plasmodium activity.
Medchemcomm
; 8(5): 1069-1092, 2017 May 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29308121
18.
Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
J Med Chem
; 60(5): 1928-1945, 2017 03 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-28135086
19.
Current advances in antifungal targets and drug development.
Curr Med Chem
; 13(11): 1321-35, 2006.
Artículo
en Inglés
| MEDLINE | ID: mdl-16712473
20.
Molecular electrostatic potentials in the design of dendrimers for the delivery of glitazones.
J Nanosci Nanotechnol
; 6(9-10): 3277-82, 2006.
Artículo
en Inglés
| MEDLINE | ID: mdl-17048547