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1.
Identification of novel potential inhibitors of monkeypox virus thymidine kinase using molecular docking, molecular dynamics simulation and MM/PBSA methods.
Mol Divers
; 2023 Jul 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37462851
2.
In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2.
Mol Divers
; 26(2): 1053-1076, 2022 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-34213728
3.
Nanorod vanadatesulfuric acid as a novel, recyclable and heterogeneous catalyst for the one-pot synthesis of tetrahydrobenzopyrans.
J Nanosci Nanotechnol
; 13(7): 5004-11, 2013 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-23901523
4.
Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies.
J Biomol Struct Dyn
; 41(13): 5915-5945, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-35848354
5.
Investigation of a set of flavonoid compounds as Helicobacter pylori urease inhibitors: insights from in silico studies.
J Biomol Struct Dyn
; : 1-23, 2023 Dec 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-38153379
6.
In silico study of potential immunonutrient-based sports supplements against COVID-19 via targeting ACE2 inhibition using molecular docking and molecular dynamics simulations.
J Biomol Struct Dyn
; 41(3): 1041-1061, 2023 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34931597
7.
Molecular docking and mouse modeling suggest CMKLR1 and INSR as targets for improving PCOS phenotypes by minocycline.
EXCLI J
; 21: 400-414, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35368462
8.
QSAR Modeling, Molecular Docking and Molecular Dynamics Simulations Studies of Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Anticancer Agents.
Anticancer Agents Med Chem
; 21(8): 987-1018, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-32698753
9.
Beneficial effects of minocycline on the ovary of polycystic ovary syndrome mouse model: Molecular docking analysis and evaluation of TNF-α, TNFR2, TLR-4 gene expression.
J Reprod Immunol
; 144: 103289, 2021 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-33610928
10.
Molecular Modeling Studies of Anti-Alzheimer Agents by QSAR, Molecular Docking and Molecular Dynamics Simulations Techniques.
Med Chem
; 16(7): 903-927, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-31385775
11.
3D-QSAR (CoMFA, CoMSIA) and Molecular Docking Studies on Histone Deacetylase 1 Selective Inhibitors.
Recent Pat Anticancer Drug Discov
; 12(4): 365-383, 2017 Nov 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-28482791
12.
Design, synthesis and biological evaluation of novel coumarin-based benzamides as potent histone deacetylase inhibitors and anticancer agents.
Eur J Med Chem
; 132: 42-62, 2017 May 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-28340413
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