Detalhe da pesquisa
1.
Identification of Bioactive Compounds against Aedes aegypti (Diptera: Culicidae) by Bioassays and in Silico Assays.
Chem Biodivers
; 18(9): e2100242, 2021 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-34242481
2.
Antileishmanial activity evaluation of thiazolidine-2,4-dione against Leishmania infantum and Leishmania braziliensis.
Parasitol Res
; 119(7): 2263-2274, 2020 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-32462293
3.
Towards development of new antimalarial compounds through in silico and in vitro assays.
Comput Biol Chem
; 111: 108093, 2024 May 11.
Artigo
Inglês
| MEDLINE | ID: mdl-38772047
4.
Molecular Multi-Target Approach for Human Acetylcholinesterase, Butyrylcholinesterase and ß-Secretase 1: Next Generation for Alzheimer's Disease Treatment.
Pharmaceuticals (Basel)
; 16(6)2023 Jun 15.
Artigo
Inglês
| MEDLINE | ID: mdl-37375827
5.
Identification of potential human beta-secretase 1 inhibitors by hierarchical virtual screening and molecular dynamics.
J Biomol Struct Dyn
; 41(10): 4560-4574, 2023 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-35491692
6.
Antiplasmodial activity of coumarins isolated from Polygala boliviensis: in vitro and in silico studies.
J Biomol Struct Dyn
; 41(22): 13383-13403, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-36744465
7.
Identification of Potential Multitarget Compounds against Alzheimer's Disease through Pharmacophore-Based Virtual Screening.
Pharmaceuticals (Basel)
; 16(12)2023 Nov 23.
Artigo
Inglês
| MEDLINE | ID: mdl-38139772
8.
Identification of novel Aedes aegypti odorant-binding protein 1 modulators by ligand and structure-based approaches and bioassays.
J Biomol Struct Dyn
; 40(1): 117-129, 2022 01.
Artigo
Inglês
| MEDLINE | ID: mdl-32815781
9.
A Review on the In Vitro Evaluation of the Anticholinesterase Activity Based on Ellman's Method.
Mini Rev Med Chem
; 22(13): 1803-1813, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-34711159
10.
In silico development of adenosine A2B receptor antagonists for sickle cell disease.
J Biomol Struct Dyn
; 40(20): 9592-9601, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-34180379
11.
A novel antiplasmodial compound: integration of in silico and in vitro assays.
J Biomol Struct Dyn
; 40(14): 6295-6307, 2022 09.
Artigo
Inglês
| MEDLINE | ID: mdl-33554762
12.
Functional annotation and comparative modeling of ligninolytic enzymes from Trametes villosa (SW.) Kreisel for biotechnological applications.
J Biomol Struct Dyn
; 40(14): 6330-6339, 2022 09.
Artigo
Inglês
| MEDLINE | ID: mdl-33554764
13.
Identification of potential Leishmania chagasi superoxide dismutase allosteric modulators by structure-based computational approaches: homology modelling, molecular dynamics and pharmacophore-based virtual screening.
J Biomol Struct Dyn
; 39(18): 7000-7016, 2021 11.
Artigo
Inglês
| MEDLINE | ID: mdl-32794433
14.
Identification of potential modulator of Anopheles gambiae odorant binding protein 1 by hierarchical virtual screening and molecular dynamics.
J Biomol Struct Dyn
; 39(16): 6031-6043, 2021 10.
Artigo
Inglês
| MEDLINE | ID: mdl-32696721
15.
Identification of novel antiplasmodial compound by hierarquical virtual screening and in vitro assays.
J Biomol Struct Dyn
; 39(9): 3378-3386, 2021 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-32364060
16.
Pharmacophore-based virtual screening and molecular docking to identify promising dual inhibitors of human acetylcholinesterase and butyrylcholinesterase.
J Biomol Struct Dyn
; 39(16): 6021-6030, 2021 10.
Artigo
Inglês
| MEDLINE | ID: mdl-32705955
17.
Interaction between artemisinin and heme. A Density Functional Theory study of structures and interaction energies.
Bioorg Med Chem
; 16(9): 5021-9, 2008 May 01.
Artigo
Inglês
| MEDLINE | ID: mdl-18375130
18.
Pharmacophore modeling, docking and molecular dynamics to identify Leishmania major farnesyl pyrophosphate synthase inhibitors.
J Mol Model
; 24(11): 314, 2018 Oct 16.
Artigo
Inglês
| MEDLINE | ID: mdl-30327889
19.
Identification of new promising Plasmodium falciparum superoxide dismutase allosteric inhibitors through hierarchical pharmacophore-based virtual screening and molecular dynamics.
J Mol Model
; 24(8): 220, 2018 Jul 28.
Artigo
Inglês
| MEDLINE | ID: mdl-30056475
20.
Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies.
Nat Prod Res
; 31(6): 729-733, 2017 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-27686750