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1.
Inclusion complex of O-allyl-lawsone with 2-hydroxypropyl-ß-cyclodextrin: Preparation, physical characterization, antiparasitic and antifungal activity.
J Bioenerg Biomembr
; 55(3): 233-248, 2023 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-37442875
2.
Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors.
Int J Mol Sci
; 16(10): 23695-722, 2015 Oct 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-26457706
3.
Hologram QSAR models of a series of 6-arylquinazolin-4-amine inhibitors of a new Alzheimer's disease target: dual specificity tyrosine-phosphorylation-regulated kinase-1A enzyme.
Int J Mol Sci
; 16(3): 5235-53, 2015 Mar 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-25756379
4.
Natural and Synthetic Coumarins as Potential Drug Candidates Against SARS-CoV-2/CoViD-19.
Curr Med Chem
; 2024 Jan 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38243979
5.
Molecular Targets for Chalcones in Antileishmanial Drug Discovery.
Mini Rev Med Chem
; 23(14): 1414-1434, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36705240
6.
In silico approach identified benzoylguanidines as SARS-CoV-2 main protease (Mpro) potential inhibitors.
J Biomol Struct Dyn
; 41(16): 7686-7699, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36124832
7.
In silico approaches and in vitro assays identify a coumarin derivative as antiviral potential against SARS-CoV-2.
J Biomol Struct Dyn
; 41(18): 8978-8991, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36326347
8.
Development of parameters compatible with the CHARMM36 force field for [Fe4S4]2+ clusters and molecular dynamics simulations of adenosine-5'-phosphosulfate reductase in GROMACS 2019.
J Biomol Struct Dyn
; 40(8): 3481-3491, 2022 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33183173
9.
Thiohydantoins and hydantoins derived from amino acids as potent urease inhibitors: Inhibitory activity and ligand-target interactions.
Chem Biol Interact
; 365: 110045, 2022 Sep 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-35853540
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