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1.
Synthesis, characterization, reaction mechanism prediction and biological study of mono, bis and tetrakis pyrazole derivatives against Fusarium oxysporum f. sp. Albedinis with conceptual DFT and ligand-protein docking studies.
Bioorg Chem
; 110: 104696, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33652343
2.
Novel ß-keto-enol Pyrazolic Compounds as Potent Antifungal Agents. Design, Synthesis, Crystal Structure, DFT, Homology Modeling, and Docking Studies.
J Chem Inf Model
; 59(4): 1398-1409, 2019 04 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-30935197
3.
Synthesis, Antimicrobial Screening, Homology Modeling, and Molecular Docking Studies of a New Series of Schiff Base Derivatives as Prospective Fungal Inhibitor Candidates.
Molecules
; 24(18)2019 Sep 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-31500095
4.
Pyrazole, imidazole and triazole: In silico, docking and ADMET studies against SARS-CoV-2.
Mater Today Proc
; 72: 3686-3695, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36101672
5.
In vitro α-amylase and hemoglobin glycation inhibitory potential of Nigella sativa essential oil, and molecular docking studies of its principal components.
Front Pharmacol
; 13: 1036129, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36339531
6.
New N-Alkylated Heterocyclic Compounds as Prospective NDM1 Inhibitors: Investigation of In Vitro and In Silico Properties.
Pharmaceuticals (Basel)
; 15(7)2022 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35890102
7.
New Heterocyclic Compounds: Synthesis, Antioxidant Activity and Computational Insights of Nano-Antioxidant as Ascorbate Peroxidase Inhibitor by Various Cyclodextrins as Drug Delivery Systems.
Curr Drug Deliv
; 18(3): 334-349, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-33023446
8.
New thiazole, pyridine and pyrazole derivatives as antioxidant candidates: synthesis, DFT calculations and molecular docking study.
Heliyon
; 6(1): e03185, 2020 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-31956713
9.
Mono-Alkylated Ligands Based on Pyrazole and Triazole Derivatives Tested Against Fusarium oxysporum f. sp. albedinis: Synthesis, Characterization, DFT, and Phytase Binding Site Identification Using Blind Docking/Virtual Screening for Potent Fophy Inhibitors.
Front Chem
; 8: 559262, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-33363103
10.
Identification of novel antifungal agents: antimicrobial evaluation, SAR, ADME-Tox and molecular docking studies of a series of imidazole derivatives.
BMC Chem
; 13(1): 100, 2019 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-31410411
11.
In vitro screening, homology modeling and molecular docking studies of some pyrazole and imidazole derivatives.
Biomed Pharmacother
; 103: 653-661, 2018 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-29679907
12.
New N,N,N',N'-tetradentate Pyrazoly Agents: Synthesis and Evaluation of their Antifungal and Antibacterial Activities.
Med Chem
; 12(1): 83-9, 2016.
Artículo
en Inglés
| MEDLINE | ID: mdl-25985861
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