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1.
In Silico Study in MPO and Molecular Docking of the Synthetic Drynaran Analogues Against the Chronic Tinnitus: Modulation of the M1 Muscarinic Acetylcholine Receptor.
Mol Biotechnol
; 66(2): 254-269, 2024 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-37079267
2.
Enhancing biocatalyst performance through immobilization of lipase (Eversa® Transform 2.0) on hybrid amine-epoxy core-shell magnetic nanoparticles.
Int J Biol Macromol
; 264(Pt 2): 130730, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-38462111
3.
HIF1 inhibition of the biflavonoids against pancreas cancer: drug-likeness, bioavailability, ADMET, PASS, molecular docking, molecular dynamics, and MM/GBSA calculations.
J Biomol Struct Dyn
; 41(14): 6845-6856, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36002285
4.
Combined study of docking and molecular dynamics against DNV-3 SN1 protein by bixinoids.
J Biomol Struct Dyn
; 41(10): 4549-4559, 2023 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-35510585
5.
De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico.
3 Biotech
; 13(9): 301, 2023 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-37588795
6.
Naphthoquinones biflorin and bis-biflorin (Capraria biflora) as possible inhibitors of the fungus Candida auris polymerase: molecular docking, molecular dynamics, MM/GBSA calculations and in silico drug-likeness study.
J Biomol Struct Dyn
; 41(21): 11564-11577, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36597918
7.
The search for new efficient inhibitors of SARS-COV-2 through the De novo drug design developed by artificial intelligence.
J Biomol Struct Dyn
; 41(19): 9890-9906, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36420665
8.
Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA.
Mol Biotechnol
; 2023 Jul 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-37490200
9.
Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholinesterase: molecular docking, MD, and MM/GBSA calculations.
J Biomol Struct Dyn
; 41(19): 9282-9296, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36326114
10.
Bixinoids Derived from Bixa orellana as a Potential Zika Virus Inhibitor Using Molecular Simulations. Antiviral Effect on the Zika Virus of Bixinoids
Braz. arch. biol. technol
; 65: e22210032, 2022. tab, graf
Artículo
en Inglés
| LILACS | ID: biblio-1364475
11.
Antitumor activity of biflorin, an o-naphthoquinone isolated from Capraria biflora.
Biol Pharm Bull
; 30(8): 1416-21, 2007 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-17666796
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