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1.
Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators.
J Enzyme Inhib Med Chem
; 36(1): 1370-1377, 2021 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-34148470
2.
Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison.
Molecules
; 25(1)2019 Dec 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-31878010
3.
Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discovery.
Molecules
; 23(1)2018 Jan 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-29300367
4.
Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon.
Molecules
; 23(11)2018 Nov 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-30424582
5.
Molecular modeling of Mannich phenols as reactivators of human acetylcholinesterase inhibited by A-series nerve agents.
Chem Biol Interact
; 382: 110622, 2023 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37442286
6.
Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2.
J Mol Model
; 29(6): 183, 2023 May 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-37212923
7.
Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach.
J Biomol Struct Dyn
; 40(12): 5309-5319, 2022 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-33410376
8.
Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targets.
J Biomol Struct Dyn
; 40(11): 5229-5242, 2022 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33416020
9.
Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors.
Toxins (Basel)
; 12(12)2020 11 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-33256167
10.
Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase.
J Biomol Struct Dyn
; 37(8): 2041-2048, 2019 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-29749305
11.
Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase.
Chem Biol Interact
; 308: 113-119, 2019 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-31100275
12.
Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate.
Chem Biol Interact
; 309: 108682, 2019 Aug 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-31163137
13.
In Vitro Evaluation of Neutral Aryloximes as Reactivators for Electrophorus eel Acetylcholinesterase Inhibited by Paraoxon.
Biomolecules
; 9(10)2019 10 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-31597234
14.
Molecular Modeling Studies on the Interactions of Aflatoxin B1 and Its Metabolites with Human Acetylcholinesterase. Part II: Interactions with the Catalytic Anionic Site (CAS).
Toxins (Basel)
; 10(10)2018 09 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-30257474
15.
Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase.
J Biomol Struct Dyn
; 34(12): 2632-2642, 2016 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-26612005
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