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1.
Accelerating the identification of subtype selective inhibitors via Three-Dimensional Biologically Relevant Spectrum (BRS-3D): The monoamine oxidase subtypes as a case study.
Bioorg Chem;
106: 104503, 2021 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-33280834
2.
Identification of a Potential Zika Virus Inhibitor Targeting NS5 Methyltransferase Using Virtual Screening and Molecular Dynamics Simulations.
J Chem Inf Model;
60(2): 562-568, 2020 02 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-31985225
3.
Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments.
Mem Inst Oswaldo Cruz;
114: e180465, 2019 Feb 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-30810604
4.
Pharmacophoric characteristics of dengue virus NS2B/NS3pro inhibitors: a systematic review of the most promising compounds.
Arch Virol;
163(3): 575-586, 2018 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-29147793
5.
Larvicidal activity of essential oil of Peumus boldus Molina and its ascaridole-enriched fraction against Culex quinquefasciatus.
Exp Parasitol;
171: 84-90, 2016 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-27815127
6.
Successful application of virtual screening and molecular dynamics simulations against antimalarial molecular targets.
Mem Inst Oswaldo Cruz;
111(12): 721-730, 2016 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-27982302
7.
Dengue outbreaks in Divinopolis, south-eastern Brazil and the geographic and climatic distribution of Aedes albopictus and Aedes aegypti in 2011-2012.
Trop Med Int Health;
20(1): 77-88, 2015 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-25328988
8.
Structure-based drug design studies of the interactions of ent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparum sarco/endoplasmic reticulum Ca²âº-ATPase PfATP6.
Mem Inst Oswaldo Cruz;
110(2): 255-8, 2015 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-25946251
9.
Antimalarial activity of 4-metoxychalcones: docking studies as falcipain/plasmepsin inhibitors, ADMET and lipophilic efficiency analysis to identify a putative oral lead candidate.
Molecules;
18(12): 15276-87, 2013 Dec 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-24335577
10.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-37375827
11.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-35491692
12.
Identification of Potential Multitarget Compounds against Alzheimer's Disease through Pharmacophore-Based Virtual Screening.
Pharmaceuticals (Basel);
16(12)2023 Nov 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38139772
13.
Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems.
Pharmaceuticals (Basel);
15(2)2022 Jan 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-35215245
14.
A novel antiplasmodial compound: integration of in silico and in vitro assays.
J Biomol Struct Dyn;
40(14): 6295-6307, 2022 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-33554762
15.
Rational-Based Discovery of Novel ß-Carboline Derivatives as Potential Antimalarials: From In Silico Identification of Novel Targets to Inhibition of Experimental Cerebral Malaria.
Pathogens;
11(12)2022 Dec 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-36558863
16.
Identification of novel antiplasmodial compound by hierarquical virtual screening and in vitro assays.
J Biomol Struct Dyn;
39(9): 3378-3386, 2021 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-32364060
17.
Structure-Based Virtual Screening: From Classical to Artificial Intelligence.
Front Chem;
8: 343, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-32411671
18.
Reverse and structural vaccinology approach to design a highly immunogenic multi-epitope subunit vaccine against Streptococcus pneumoniae infection.
Infect Genet Evol;
85: 104473, 2020 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-32712314
19.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-18375130
20.
Methyl Chavicol and Its Synthetic Analogue as Possible Antioxidant and Antilipase Agents Based on the In Vitro and In Silico Assays.
Oxid Med Cell Longev;
2018: 2189348, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-29849872