Detalhe da pesquisa
1.
In Silico Identification of Multi-Target Ligands as Promising Hit Compounds for Neurodegenerative Diseases Drug Development.
Int J Mol Sci
; 23(21)2022 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36362434
2.
New Potential Pharmacological Targets of Plant-Derived Hydroxyanthraquinones from Rubia spp.
Molecules
; 27(10)2022 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35630751
3.
Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases.
Molecules
; 26(21)2021 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34770768
4.
AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.
Nucleic Acids Res
; 45(W1): W350-W355, 2017 07 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-28486703
5.
A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments.
Int J Mol Sci
; 20(18)2019 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31546814
6.
Synthesis, antimycobacterial activity and docking study of 2-aroyl-[1]benzopyrano[4,3-c]pyrazol-4(1H)-one derivatives and related hydrazide-hydrazones.
Bioorg Med Chem Lett
; 27(13): 2996-3002, 2017 07 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28512022
7.
Functional state modelling approach validation for yeast and bacteria cultivations.
Biotechnol Biotechnol Equip
; 28(5): 968-974, 2014 Sep 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-26740778
8.
Evaluation of Acute and Sub-Acute Toxicity, Oxidative Stress and Molecular Docking of Two Nitrofuranyl Amides as Promising Anti-Tuberculosis Agents.
Biomolecules
; 13(8)2023 07 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37627241
9.
Design, Synthesis, In Silico Studies and In Vitro Evaluation of New Indole- and/or Donepezil-like Hybrids as Multitarget-Directed Agents for Alzheimer's Disease.
Pharmaceuticals (Basel)
; 16(9)2023 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37765003
10.
Generalized Net Model of the Foreign Object Principle and its Network Physiology Interpretations.
Front Netw Physiol
; 2: 873337, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36926110
11.
Development of New Antimycobacterial Sulfonyl Hydrazones and 4-Methyl-1,2,3-thiadiazole-Based Hydrazone Derivatives.
Antibiotics (Basel)
; 11(5)2022 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35625207
12.
A Comprehensive Evaluation of Sdox, a Promising H2S-Releasing Doxorubicin for the Treatment of Chemoresistant Tumors.
Front Pharmacol
; 13: 831791, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35321325
13.
Cytotoxicity and Microbicidal Activity of Commonly Used Organic Solvents: A Comparative Study and Application to a Standardized Extract from Vaccinium macrocarpon.
Toxics
; 9(5)2021 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33919268
14.
Dual SMO/BRAF Inhibition by Flavonolignans from Silybum marianum .
Antioxidants (Basel)
; 9(5)2020 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32380762
15.
In vitro and in silico studies of the membrane permeability of natural flavonoids from Silybum marianum (L.) Gaertn. and their derivatives.
Phytomedicine
; 53: 79-85, 2019 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-30668415
16.
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.
BMC Bioinformatics
; 9: 438, 2008 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-18925937
17.
ADME/Tox Properties and Biochemical Interactions of Silybin Congeners: In silico Study.
Nat Prod Commun
; 12(2): 175-178, 2017 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-30428204
18.
Post-docking optimization and analysis of protein-ligand interactions of estrogen receptor alpha using AMMOS software.
Curr Comput Aided Drug Des
; 9(1): 83-94, 2013 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-23106778
19.
Post-docking virtual screening of diverse binding pockets: comparative study using DOCK, AMMOS, X-Score and FRED scoring functions.
Eur J Med Chem
; 45(6): 2622-8, 2010 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-20227800
20.
DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.
BMC Chem Biol
; 9: 6, 2009 Nov 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-19912625