Detalhe da pesquisa
1.
Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulations.
Mol Divers
; 2023 Jul 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37462852
2.
Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE.
J Biomol Struct Dyn
; 42(4): 1629-1646, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-37199265
3.
Constituents of Stachys plants as potential dual inhibitors of AChE and NMDAR for the treatment of Alzheimer's disease: a molecular docking and dynamic simulation study.
J Biomol Struct Dyn
; 42(5): 2586-2602, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-37325873
4.
Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors.
J Biomol Struct Dyn
; 41(6): 2326-2340, 2023 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35168478
5.
Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors.
J Biomol Struct Dyn
; : 1-16, 2023 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37850444
6.
Exploring natural products as multi-target-directed drugs for Parkinson's disease: an in-silico approach integrating QSAR, pharmacophore modeling, and molecular dynamics simulations.
J Biomol Struct Dyn
; : 1-18, 2023 Sep 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-37753798
7.
Molecular docking study and molecular dynamic simulation of human cyclooxygenase-2 (COX-2) with selected eutypoids.
J Biomol Struct Dyn
; 40(3): 1189-1204, 2022 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32990169
8.
In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease.
J Integr Bioinform
; 19(4)2022 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36112816
9.
Dynamics of the Gut Bacteriome During a Laboratory Adaptation Process of the Mediterranean Fruit Fly, Ceratitis capitata.
Front Microbiol
; 13: 919760, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35847076
10.
Detection of Wolbachia Infections in Natural and Laboratory Populations of the Moroccan Hessian Fly, Mayetiola destructor (Say).
Insects
; 11(6)2020 Jun 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32498270