Detalles de la búsqueda
1.
Pharmacophore mapping of the crucial mediators of acetylcholinesterase and butyrylcholinesterase dual inhibition in Alzheimer's disease.
Mol Divers
; 26(5): 2761-2774, 2022 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-35067751
2.
Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer's Disease Therapy.
Molecules
; 27(14)2022 Jul 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-35889246
3.
Tailored Modeling of Rivastigmine Derivatives as Dual Acetylcholinesterase and Butyrylcholinesterase Inhibitors for Alzheimer's Disease Treatment.
Chem Biodivers
; 18(11): e2100361, 2021 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-34547176
4.
Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach.
Int J Mol Sci
; 22(24)2021 Dec 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34948055
5.
Influenza Viruses: Harnessing the Crucial Role of the M2 Ion-Channel and Neuraminidase toward Inhibitor Design.
Molecules
; 26(4)2021 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33562349
6.
Concerted hydrolysis mechanism of HIV-1 natural substrate against subtypes B and C-SA PR: insight through molecular dynamics and hybrid QM/MM studies.
Phys Chem Chem Phys
; 22(4): 2530-2539, 2020 Jan 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-31942584
7.
Understanding the Hsp90 N-terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922).
Molecules
; 25(8)2020 Apr 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-32295059
8.
Mental health research in the lower-middle-income countries of Africa and Asia during the COVID-19 pandemic: A scoping review.
Neurol Psychiatry Brain Res
; 38: 54-64, 2020 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-33162686
9.
The Driving Force for the Acylation of ß-Lactam Antibiotics by L,D-Transpeptidase 2: Quantum Mechanics/Molecular Mechanics (QM/MM) Study.
Chemphyschem
; 20(9): 1126-1134, 2019 05 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-30969480
10.
Theoretical and experimental adsorption studies of sulfamethoxazole and ketoprofen on synthesized ionic liquids modified CNTs.
Ecotoxicol Environ Saf
; 161: 542-552, 2018 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-29929130
11.
Role of ATP Hydrolysis and Product Release in the Translocation Mechanism of SARS-CoV-2 NSP13.
J Phys Chem B
; 128(2): 492-503, 2024 Jan 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-38175211
12.
The Role of ATP Hydrolysis and Product Release in the Translocation Mechanism of SARS-CoV-2 NSP13.
bioRxiv
; 2023 Sep 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-37808802
13.
Ni2+ and Cu2+ complexes of N-(2,6-dichlorophenyl)-N-mesityl formamidine dithiocarbamate structural and functional properties as CYP3A4 potential substrates.
Sci Rep
; 13(1): 13414, 2023 Aug 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-37591990
14.
Computational studies of potential antiviral compounds from some selected Nigerian medicinal plants against SARS-CoV-2 proteins.
Inform Med Unlocked
; 38: 101230, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36974159
15.
An Overview of ß-Amyloid Cleaving Enzyme 1 (BACE1) in Alzheimer's Disease Therapy: Elucidating its Exosite-Binding Antibody and Allosteric Inhibitor.
Curr Med Chem
; 29(1): 114-135, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34102967
16.
Probing the dual inhibitory mechanisms of novel thiophenecarboxamide derivatives against Mycobacterium tuberculosis PyrG and PanK: an insight from biomolecular modeling study.
J Biomol Struct Dyn
; 40(7): 2978-2990, 2022 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-33155869
17.
Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerization.
J Biomol Struct Dyn
; 40(4): 1558-1570, 2022 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33021149
18.
Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer's disease: an integrated dynamic interaction investigation.
J Biomol Struct Dyn
; 40(12): 5253-5265, 2022 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-33410374
19.
Alzheimer's Disease and ß-secretase Inhibition: An Update with a Focus on Computer-aided Inhibitor Design.
Curr Drug Targets
; 23(3): 266-285, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34370634
20.
Exploring the concerted mechanistic pathway for HIV-1 PR-substrate revealed by umbrella sampling simulation.
J Biomol Struct Dyn
; 40(4): 1736-1747, 2022 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33073714