Detalhe da pesquisa
1.
In vitro and in silico cholinesterase inhibitory and antioxidant effects of essential oils and extracts of two new Salvia fruticosa mill. cultivars (Turgut and Uysal) and GC-MS analysis of the essential oils.
Int J Environ Health Res
; 34(2): 674-686, 2024 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-36739545
2.
Synthesis, bioactivity and binding energy calculations of novel 3-ethoxysalicylaldehyde based thiosemicarbazone derivatives.
Bioorg Chem
; 100: 103924, 2020 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32442818
3.
Discovery of Klotho peptide antagonists against Wnt3 and Wnt3a target proteins using combination of protein engineering, protein-protein docking, peptide docking and molecular dynamics simulations.
J Enzyme Inhib Med Chem
; 32(1): 84-98, 2017 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-27766889
4.
Synthesis, biological activity and multiscale molecular modeling studies for coumaryl-carboxamide derivatives as selective carbonic anhydrase IX inhibitors.
J Enzyme Inhib Med Chem
; 32(1): 1042-1052, 2017 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-28776440
5.
Kinetic and in silico studies of hydroxy-based inhibitors of carbonic anhydrase isoforms I and II.
J Enzyme Inhib Med Chem
; 31(1): 31-7, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-25676327
6.
Cholinesterase Inhibitory and In Silico Toxicity Assessment of Thirty-Four Isoquinoline Alkaloids - Berberine as the Lead Compound.
CNS Neurol Disord Drug Targets
; 2023 Apr 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-37073143
7.
Synthesis, anticholinesterase activity and molecular modeling studies of novel carvacrol-substituted amide derivatives.
J Biomol Struct Dyn
; 38(3): 841-859, 2020 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-30836858
8.
Combinatorial peptide library screening for discovery of diverse α-glucosidase inhibitors using molecular dynamics simulations and binary QSAR models.
J Biomol Struct Dyn
; 37(3): 726-740, 2019 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-29421954
9.
A QM protein-ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R).
J Biomol Struct Dyn
; 36(10): 2668-2677, 2018 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-28805144
10.
Biochemical changes induced by grape seed extract and low level laser therapy administration during intraoral wound healing in rat liver: an experimental and in silico study.
J Biomol Struct Dyn
; 36(4): 993-1008, 2018 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-28279122
11.
The effects of pollen, propolis, and caffeic acid phenethyl ester on tyrosine hydroxylase activity and total RNA levels in hypertensive rats caused by nitric oxide synthase inhibition: experimental, docking and molecular dynamic studies.
J Biomol Struct Dyn
; 36(3): 609-620, 2018 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-28132600
12.
Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies.
J Biomol Struct Dyn
; 35(9): 1899-1915, 2017 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-27315035
13.
Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 Receptor.
ACS Chem Neurosci
; 8(4): 826-836, 2017 04 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-28001043