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1.
Transcriptomic and genomic studies classify NKL54 as a histone deacetylase inhibitor with indirect influence on MEF2-dependent transcription.
Nucleic Acids Res
; 50(5): 2566-2586, 2022 03 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35150567
2.
Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal.
J Comput Aided Mol Des
; 36(7): 483-505, 2022 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-35716228
3.
Human Estrogen Receptor Alpha Antagonists, Part 3: 3-D Pharmacophore and 3-D QSAR Guided Brefeldin A Hit-to-Lead Optimization toward New Breast Cancer Suppressants.
Molecules
; 27(9)2022 Apr 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35566172
4.
Pinus mugo Essential Oil Impairs STAT3 Activation through Oxidative Stress and Induces Apoptosis in Prostate Cancer Cells.
Molecules
; 27(15)2022 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35956786
5.
Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure-Based and Ligand-Based Studies.
J Chem Inf Model
; 61(10): 5028-5053, 2021 10 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-34648283
6.
Machine Learning Data Augmentation as a Tool to Enhance Quantitative Composition-Activity Relationships of Complex Mixtures. A New Application to Dissect the Role of Main Chemical Components in Bioactive Essential Oils.
Molecules
; 26(20)2021 Oct 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-34684861
7.
Identification of Inhibitors to Trypanosoma cruzi Sirtuins Based on Compounds Developed to Human Enzymes.
Int J Mol Sci
; 21(10)2020 May 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-32455951
8.
Experimental Data Based Machine Learning Classification Models with Predictive Ability to Select in Vitro Active Antiviral and Non-Toxic Essential Oils.
Molecules
; 25(10)2020 May 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-32466318
9.
Human estrogen receptor α antagonists, part 2: Synthesis driven by rational design, in vitro antiproliferative, and in vivo anticancer evaluation of innovative coumarin-related antiestrogens as breast cancer suppressants.
Eur J Med Chem
; 227: 113869, 2022 Jan 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-34710747
10.
Targeting the anti-apoptotic Bcl-2 family proteins: machine learning virtual screening and biological evaluation of new small molecules.
Theranostics
; 12(5): 2427-2444, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35265218
11.
A Comparative Analysis of Punicalagin Interaction with PDIA1 and PDIA3 by Biochemical and Computational Approaches.
Biomedicines
; 9(11)2021 Oct 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-34829762
12.
The anti-STAT1 polyphenol myricetin inhibits M1 microglia activation and counteracts neuronal death.
FEBS J
; 288(7): 2347-2359, 2021 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-32981207
13.
First-in-Class Inhibitors of the Ribosomal Oxygenase MINA53.
J Med Chem
; 64(23): 17031-17050, 2021 12 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34843649
14.
Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells.
Eur J Med Chem
; 163: 722-735, 2019 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-30576903
15.
Identification of Inhibitors to Trypanosoma cruzi Sirtuins Based on Compounds Developed to Human Enzymes
Artículo
en Inglés
| ARCA | ID: arc-43563
16.
Identification of Inhibitors to Trypanosoma cruzi Sirtuins Based on Compounds Developed to Human Enzymes
Artículo
en Inglés
| ARCA | ID: arc-43445
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