Detalles de la búsqueda
1.
Synthesis and anti-parasitic activity of N-benzylated phosphoramidate Mg2+-chelating ligands.
Bioorg Chem
; 105: 104280, 2020 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-33152647
2.
Synthesis and anti-parasitic activity of achiral N-benzylated phosphoramidic acid derivatives.
Bioorg Chem
; 101: 103947, 2020 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-32559578
3.
Synthetic analogues of the marine bisindole deoxytopsentin: potent selective inhibitors of MRSA pyruvate kinase.
J Nat Prod
; 78(3): 355-62, 2015 Mar 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-25372480
4.
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase.
Med Chem
; 2024 Apr 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-38584555
5.
Inhibitory effects of selected cannabinoids against dipeptidyl peptidase IV, an enzyme linked to type 2 diabetes.
Heliyon
; 10(1): e23289, 2024 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-38169946
6.
Exploring DOXP-reductoisomerase binding limits using phosphonated N-aryl and N-heteroarylcarboxamides as DXR inhibitors.
Bioorg Med Chem
; 21(14): 4332-41, 2013 Jul 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-23735832
7.
Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity.
Med Chem
; 18(9): 970-979, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35114926
8.
The Molecular Basis of the Effect of Temperature on the Structure and Function of SARS-CoV-2 Spike Protein.
Front Mol Biosci
; 9: 794960, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35463957
9.
AMADAR: a python-based package for large scale prediction of Diels-Alder transition state geometries and IRC path analysis.
J Cheminform
; 14(1): 39, 2022 Jun 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35706060
10.
Synthesis and evaluation of phosphonated N-heteroarylcarboxamides as DOXP-reductoisomerase (DXR) inhibitors.
Bioorg Med Chem
; 19(3): 1321-7, 2011 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21216609
11.
Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4).
J Biomol Struct Dyn
; 37(7): 1813-1829, 2019 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-29683402
12.
High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV.
J Biomol Struct Dyn
; 37(8): 2179-2192, 2019 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-30044185
13.
Seed Extract of Psoralea corylifolia and Its Constituent Bakuchiol Impairs AHL-Based Quorum Sensing and Biofilm Formation in Food- and Human-Related Pathogens.
Front Cell Infect Microbiol
; 8: 351, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-30410871
14.
Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies.
Int J Biol Macromol
; 111: 548-560, 2018 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-29329815
15.
Mechanistic insights into the urea-induced denaturation of kinase domain of human integrin linked kinase.
Int J Biol Macromol
; 111: 208-218, 2018 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-29309873
16.
Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression.
Int J Biol Macromol
; 107(Pt B): 2580-2589, 2018 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-29079437
17.
Unravelling the unfolding mechanism of human integrin linked kinase by GdmCl-induced denaturation.
Int J Biol Macromol
; 117: 1252-1263, 2018 Oct 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29885398
18.
Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow.
J Biomol Struct Dyn
; 34(10): 2084-101, 2016 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-26471975
19.
Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs.
Sci Rep
; 6: 23690, 2016 Mar 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-27030511
20.
SANCDB: a South African natural compound database.
J Cheminform
; 7: 29, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-26097510