Detalhe da pesquisa
1.
Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities.
J Enzyme Inhib Med Chem
; 38(1): 2152810, 2023 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36629075
2.
Spiro heterocycles bearing piperidine moiety as potential scaffold for antileishmanial activity: synthesis, biological evaluation, and in silico studies.
J Enzyme Inhib Med Chem
; 38(1): 330-342, 2023 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36444862
3.
In Silico Targeting of Fascin Protein for Cancer Therapy: Benchmarking, Virtual Screening and Molecular Dynamics Approaches.
Molecules
; 28(3)2023 Jan 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-36770963
4.
Structure-guided approach on the role of substitution on amide-linked bipyrazoles and its effect on their anti-inflammatory activity.
J Enzyme Inhib Med Chem
; 37(1): 2179-2190, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-35950562
5.
New pyrazolylpyrazoline derivatives as dual acting antimalarial-antileishamanial agents: synthesis, biological evaluation and molecular modelling simulations.
J Enzyme Inhib Med Chem
; 37(1): 2320-2333, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36036155
6.
In silico identification of novel SARS-COV-2 2'-O-methyltransferase (nsp16) inhibitors: structure-based virtual screening, molecular dynamics simulation and MM-PBSA approaches.
J Enzyme Inhib Med Chem
; 36(1): 727-736, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-33685335
7.
Development of Novel Quinoline-Based Sulfonamides as Selective Cancer-Associated Carbonic Anhydrase Isoform IX Inhibitors.
Int J Mol Sci
; 22(20)2021 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34681794
8.
New acrylamide-sulfisoxazole conjugates as dihydropteroate synthase inhibitors.
Bioorg Med Chem
; 28(9): 115444, 2020 05 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32220521
9.
Synthesis, biological evaluation and modeling of hybrids from tetrahydro-1H-pyrazolo[3,4-b]quinolines as dual cholinestrase and COX-2 inhibitors.
Bioorg Chem
; 100: 103895, 2020 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32413626
10.
Design, synthesis, biological evaluation and in silico studies of certain aryl sulfonyl hydrazones conjugated with 1,3-diaryl pyrazoles as potent metallo-ß-lactamase inhibitors.
Bioorg Chem
; 105: 104386, 2020 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33137556
11.
Synthesis, modeling and biological evaluation of some pyrazolo[3,4-d]pyrimidinones and pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidinones as anti-inflammatory agents.
Bioorg Chem
; 90: 102844, 2019 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-31229797
12.
Design and synthesis of phthalazine-based compounds as potent anticancer agents with potential antiangiogenic activity via VEGFR-2 inhibition.
J Enzyme Inhib Med Chem
; 34(1): 1347-1367, 2019 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-31322015
13.
Synthesis, biological evaluation and molecular modeling of novel thienopyrimidinone and triazolothienopyrimidinone derivatives as dual anti-inflammatory antimicrobial agents.
Bioorg Chem
; 77: 38-46, 2018 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29328997
14.
Synthesis, anti-inflammatory screening, molecular docking, and COX-1,2/-5-LOX inhibition profile of some novel quinoline derivatives.
Bioorg Chem
; 78: 220-235, 2018 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29602046
15.
pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening.
J Chem Inf Model
; 55(11): 2297-307, 2015 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-26434782
16.
Evaluation and optimization of virtual screening workflows with DEKOIS 2.0--a public library of challenging docking benchmark sets.
J Chem Inf Model
; 53(6): 1447-62, 2013 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23705874
17.
New antileishmanial quinoline linked isatin derivatives targeting DHFR-TS and PTR1: Design, synthesis, and molecular modeling studies.
Eur J Med Chem
; 246: 114959, 2023 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36493614
18.
Discovery of indolinone-bearing benzenesulfonamides as new dual carbonic anhydrase and VEGFR-2 inhibitors possessing anticancer and pro-apoptotic properties.
Eur J Med Chem
; 259: 115707, 2023 Nov 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37556946
19.
In silico screening of SARS-CoV2 helicase using African natural products: Docking and molecular dynamics approaches.
Virology
; 587: 109863, 2023 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-37586235
20.
1,5-Diaryl-1,2,4-triazole Ureas as New SLC-0111 Analogues Endowed with Dual Carbonic Anhydrase and VEGFR-2 Inhibitory Activities.
J Med Chem
; 66(15): 10558-10578, 2023 08 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37501287