Detalles de la búsqueda
1.
Identifying Potential SOS1 Inhibitors via Virtual Screening of Multiple Small Molecule Libraries against KRAS-SOS1 Interaction.
Chembiochem
; : e202400008, 2024 Apr 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-38622060
2.
Enterocin DD14 can inhibit the infection of eukaryotic cells with enveloped viruses.
Arch Microbiol
; 206(6): 269, 2024 May 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-38767708
3.
Efficient, rapid, and high-yield synthesis of aryl Schiff base derivatives and their in vitro and in silico inhibition studies of hCA I, hCA II, AChE, and BuChE.
Arch Pharm (Weinheim)
; : e2300266, 2024 Apr 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38593306
4.
Inhibition of altered Orai1 channels in Müller cells protects photoreceptors in retinal degeneration.
Glia
; 71(11): 2511-2526, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-37533369
5.
The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies.
Mol Ther
; 30(2): 963-974, 2022 02 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34678509
6.
Challenges and limitations in the studies of glycoproteins: A computational chemist's perspective.
Proteins
; 90(2): 322-339, 2022 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34549826
7.
Identification of first-in-class plasmodium OTU inhibitors with potent anti-malarial activity.
Biochem J
; 478(18): 3445-3466, 2021 09 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34486667
8.
Synthesis and Aldose Reductase Inhibition Effects of Novel N-Benzyl-4-Methoxyaniline Derivatives.
Chem Biodivers
; 19(1): e202100530, 2022 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-34889038
9.
Instant determination of the artemisinin from various Artemisia annua L. extracts by LC-ESI-MS/MS and their in-silico modelling and in vitro antiviral activity studies against SARS-CoV-2.
Phytochem Anal
; 33(2): 303-319, 2022 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-34585460
10.
Structures of MERS-CoV macro domain in aqueous solution with dynamics: Impacts of parallel tempering simulation techniques and CHARMM36m and AMBER99SB force field parameters.
Proteins
; 89(10): 1289-1299, 2021 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-34008220
11.
Structural and Functional Characterization of Allatostatin Receptor Type-C of Thaumetopoea pityocampa, a Potential Target for Next-Generation Pest Control Agents.
J Chem Inf Model
; 61(2): 715-728, 2021 02 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-33476150
12.
Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors.
Bioorg Chem
; 115: 105225, 2021 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-34364052
13.
Novel inhibitors of eukaryotic elongation factor 2 kinase: In silico, synthesis and in vitro studies.
Bioorg Chem
; 116: 105296, 2021 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34488125
14.
Drug repurposing studies of PARP inhibitors as a new therapy for inherited retinal degeneration.
Cell Mol Life Sci
; 77(11): 2199-2216, 2020 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-31451894
15.
Integrated Binary QSAR-Driven Virtual Screening and In Vitro Studies for Finding Novel hMAO-B-Selective Inhibitors.
J Chem Inf Model
; 60(8): 4047-4055, 2020 08 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-32672456
16.
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
17.
Host-Guest Interactions between Candesartan and Its Prodrug Candesartan Cilexetil in Complex with 2-Hydroxypropyl-ß-cyclodextrin: On the Biological Potency for Angiotensin II Antagonism.
Mol Pharm
; 16(3): 1255-1271, 2019 03 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-30681344
18.
Toward Understanding the Impact of Dimerization Interfaces in Angiotensin II Type 1 Receptor.
J Chem Inf Model
; 59(10): 4314-4327, 2019 10 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-31429557
19.
Synthesis, biological activity and multiscale molecular modeling studies of bis-coumarins as selective carbonic anhydrase IX and XII inhibitors with effective cytotoxicity against hepatocellular carcinoma.
Bioorg Chem
; 87: 838-850, 2019 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-31003041
20.
Combined molecular modeling and cholinesterase inhibition studies on some natural and semisynthetic O-alkylcoumarin derivatives.
Bioorg Chem
; 84: 355-362, 2019 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-30530106