Detalhe da pesquisa
1.
Application of Molecular Dynamics Simulations to Determine Interactions between Canary Seed (Phalaris canariensis L.) Bioactive Peptides and Skin-Aging Enzymes.
Int J Mol Sci
; 24(17)2023 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37686226
2.
Nitazoxanide Inhibits the Bifunctional Enzyme GlG6PD::6PGL of Giardia lamblia: Biochemical and In Silico Characterization of a New Druggable Target.
Int J Mol Sci
; 24(14)2023 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37511272
3.
An Overall View of the Functional and Structural Characterization of Glucose-6-Phosphate Dehydrogenase Variants in the Mexican Population.
Int J Mol Sci
; 24(16)2023 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37628871
4.
Multifunctional Analysis of Chia Seed (Salvia hispanica L.) Bioactive Peptides Using Peptidomics and Molecular Dynamics Simulations Approaches.
Int J Mol Sci
; 23(13)2022 Jun 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35806294
5.
In Silico Design of Novel Mutant Anti-MUC1 Aptamers for Targeted Cancer Therapy.
J Chem Inf Model
; 60(2): 786-793, 2020 02 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31657548
6.
Enhanced Degradation of Pesticide Dichlorophen by Laccase Immobilized on Nanoporous Materials: A Cytotoxic and Molecular Simulation Investigation.
Bioconjug Chem
; 29(4): 1073-1080, 2018 04 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-29337540
7.
Bioassay-guided identification of antithrombotic compounds from Cnidoscolus aconitifolius (Mill.) I. M. Jhonst.: molecular docking, bioavailability, and toxicity prediction.
J Biomol Struct Dyn
; 42(4): 1692-1710, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-37232450
8.
Molecular dynamics and free energy calculations of clozapine bound to D2 and H1 receptors reveal a cardiometabolic mitigated derivative.
J Biomol Struct Dyn
; 41(19): 9313-9325, 2023 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36416566
9.
Laccase catalytic activity shielded by SiO2 nanostructured materials: an in vitro and in silico approach.
J Biomol Struct Dyn
; : 1-7, 2023 Jun 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37325844
10.
Synthesis, insecticidal activity, and ensembled docking of nitroguanidines bearing S- and R-proline.
Pest Manag Sci
; 79(5): 1912-1921, 2023 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-36656155
11.
In-depth peptidomic profile and molecular simulation studies on ACE-inhibitory peptides derived from probiotic fermented milk of different farm animals.
Food Res Int
; 168: 112706, 2023 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37120189
12.
The ovaries of ivermectin-resistant Rhipicephalus microplus strains display proteomic adaptations involving the induction of xenobiotic detoxification and structural remodeling mechanisms.
J Proteomics
; 280: 104892, 2023 05 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-36997062
13.
Integration of Molecular Docking Analysis and Molecular Dynamics Simulations for Studying Food Proteins and Bioactive Peptides.
J Agric Food Chem
; 70(4): 934-943, 2022 Feb 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34990125
14.
Structure-Based Virtual Screening of Sterols and Triterpenoids Isolated from Ganoderma (Agaricomycetes) Medicinal Mushrooms Shows Differences in Their Affinity for Human Glucocorticoid and Mineralocorticoid Receptors.
Int J Med Mushrooms
; 23(9): 1-13, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34591394
15.
Ergosterol exerts a differential effect on AR-dependent LNCaP and AR-independent DU-145 cancer cells.
Nat Prod Res
; 35(22): 4857-4860, 2021 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-32146854
16.
Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein.
PLoS One
; 14(3): e0213028, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-30875378
17.
Insights into Ergosterol Peroxide's Trypanocidal Activity.
Biomolecules
; 9(9)2019 09 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31547423
18.
Molecular Dynamics and Virtual Screening Analysis of Lanosterol Derivatives from Ganoderma Medicinal Mushrooms (Agaricomycetes) as Selective Ligands of Human Androgen Receptor.
Int J Med Mushrooms
; 19(7): 595-605, 2017.
Artigo
em Inglês
| MEDLINE | ID: mdl-29199581
19.
In Silico Analysis of Lanostanoids Characterized in Ganoderma Mushrooms (Agaricomycetes) as Potential Ligands of the Vitamin D Receptor.
Int J Med Mushrooms
; 18(11): 1037-1047, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-28008815
20.
Simple approach for ranking structure determining residues.
PeerJ
; 4: e2136, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-27366642