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1.
Are Terminal Alkynes Necessary for MAO-A/MAO-B Inhibition? A New Scaffold Is Revealed.
Molecules
; 29(11)2024 May 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-38893361
2.
Atherogenic index of plasma is an independent predictor of mitral annular calcification.
BMC Cardiovasc Disord
; 22(1): 511, 2022 11 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-36451082
3.
Another possible determinant for ischemic stroke with nonvalvular atrial fibrillation other than conventional oral anticoagulant treatment: The relationship between whole blood viscosity and strokeâ.
J Stroke Cerebrovasc Dis
; 31(9): 106687, 2022 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-35932540
4.
A novel hybrid method named electron conformational genetic algorithm as a 4D QSAR investigation to calculate the biological activity of the tetrahydrodibenzazosines.
J Comput Chem
; 41(11): 1091-1104, 2020 04 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-32058616
5.
Design, Synthesis, and Molecular Modeling Studies of Novel Coumarin Carboxamide Derivatives as eEF-2K Inhibitors.
J Chem Inf Model
; 60(3): 1766-1778, 2020 03 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-32027127
6.
Synthesis of Novel Hydrazide-Hydrazone Compounds and In Vitro and In Silico Investigation of Their Biological Activities against AChE, BChE, and hCA I and II.
ACS Omega
; 9(18): 20030-20041, 2024 May 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-38737075
7.
Utilizing Heteroatom Types and Numbers from Extensive Ligand Libraries to Develop Novel hERG Blocker QSAR Models Using Machine Learning-Based Classifiers.
ACS Omega
; 8(43): 40864-40877, 2023 Oct 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-37929100
8.
In silico identification of angiotensin-1 converting enzyme inhibitors using text mining and virtual screening.
J Biomol Struct Dyn
; 40(3): 1152-1162, 2022 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-33016840
9.
Evaluation of ECG Repolarization Parameters in a Worker Cohort Working the Night Shift.
J Saudi Heart Assoc
; 34(3): 124-133, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36127932
10.
Identifying highly effective coumarin-based novel cholinesterase inhibitors by in silico and in vitro studies.
J Mol Graph Model
; 115: 108210, 2022 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-35623143
11.
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2: A Combined in silico and inâ vitro Study.
Mol Inform
; 41(2): e2100062, 2022 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34529322
12.
4D-QSAR analysis and pharmacophore modeling: electron conformational-genetic algorithm approach for penicillins.
Bioorg Med Chem
; 19(7): 2199-210, 2011 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21419636
13.
Investigation of novel indole-based HIV-1 protease inhibitors using virtual screening and text mining.
J Biomol Struct Dyn
; 39(10): 3638-3648, 2021 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-32496942
14.
Identifying new piperazine-based PARP1 inhibitors using text mining and integrated molecular modeling approaches.
J Biomol Struct Dyn
; 39(2): 681-690, 2021 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-32048546
15.
Hybrid In Silico and TR-FRET-Guided Discovery of Novel BCL-2 Inhibitors.
ACS Pharmacol Transl Sci
; 4(3): 1111-1123, 2021 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34151203
16.
Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure
; 29(12): 1382-1396.e6, 2021 12 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34403647
17.
Combined ligand and structure-based virtual screening approaches for identification of novel AChE inhibitors.
Turk J Chem
; 44(3): 574-588, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-33488178
18.
Novel AChE and BChE inhibitors using combined virtual screening, text mining and in vitro binding assays.
J Biomol Struct Dyn
; 38(11): 3342-3358, 2020 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-31462153
19.
In vitro and in silico studies of nitrobenzamide derivatives as potential anti-neuroinflammatory agents.
J Biomol Struct Dyn
; 38(15): 4655-4668, 2020 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-31642383
20.
Application of electron conformational-genetic algorithm approach to 1,4-dihydropyridines as calcium channel antagonists: pharmacophore identification and bioactivity prediction.
J Mol Model
; 18(1): 65-82, 2012 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-21451963