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1.
Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.
Mol Divers
; 27(4): 1879-1903, 2023 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-36057867
2.
Lipids regulate the hydrolysis of membrane bound glucosylceramide by lysosomal ß-glucocerebrosidase.
J Lipid Res
; 58(3): 563-577, 2017 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-28126847
3.
Virtual screening, ADMET profiling, PASS prediction, and bioactivity studies of potential inhibitory roles of alkaloids, phytosterols, and flavonoids against COVID-19 main protease (Mpro).
Nat Prod Res
; 36(12): 3110-3116, 2022 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-34107799
4.
Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors - An insight into the atomistic mechanisms of their antioxidant potential.
Heliyon
; 7(6): e07317, 2021 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-34195424
5.
In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (Mpro).
In Silico Pharmacol
; 9(1): 9, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-33425648
6.
Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro).
Virusdisease
; 32(4): 642-656, 2021 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-34226871
7.
Exploring the inhibitory potentials of Momordica charantia bioactive compounds against Keap1-Kelch protein using computational approaches.
In Silico Pharmacol
; 9(1): 39, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34249600
8.
Role of endosomal membrane lipids and NPC2 in cholesterol transfer and membrane fusion.
J Lipid Res
; 51(7): 1747-60, 2010 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-20179319
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