MetaPASS: A Web Application for Analyzing the Biological Activity Spectrum of Organic Compounds Taking into Account their Biotransformation

2020 ◽  
Author(s):  
Anastasia Rudik ◽  
Alexander Dmitriev ◽  
Alexey Lagunin ◽  
Dmitry Filimonov ◽  
Vladimir Poroikov
Keyword(s):  
Biological Activity ◽  
Organic Compounds ◽  
Web Application ◽  
Activity Spectrum ◽  
Biological Activity Spectrum

scholarly journals Investigating Biological Activity Spectrum for Novel Styrylquinazoline Analogues

Molecules ◽  
2009 ◽  
Vol 14 (10) ◽  
pp. 4246-4265 ◽  
Author(s):  
Josef Jampilek ◽  
Robert Musiol ◽  
Jacek Finster ◽  
Matus Pesko ◽  
James Carroll ◽  
...  
Keyword(s):  
Biological Activity ◽  
Activity Spectrum ◽  
Biological Activity Spectrum

Investigating biological activity spectrum for novel quinoline analogues 2: Hydroxyquinolinecarboxamides with photosynthesis-inhibiting activity

2008 ◽  
Vol 16 (8) ◽  
pp. 4490-4499 ◽  
Author(s):  
Robert Musiol ◽  
Dominik Tabak ◽  
Halina Niedbala ◽  
Barbara Podeszwa ◽  
Josef Jampilek ◽  
...  
Keyword(s):  
Biological Activity ◽  
Inhibiting Activity ◽  
Activity Spectrum ◽  
Biological Activity Spectrum

scholarly journals PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser

2002 ◽  
Vol 43 (1) ◽  
pp. 228-236 ◽  
Author(s):  
Vladimir V. Poroikov ◽  
Dmitrii A. Filimonov ◽  
Wolf-Dietrich Ihlenfeldt ◽  
Tatyana A. Gloriozova ◽  
Alexey A. Lagunin ◽  
...  
Keyword(s):  
Biological Activity ◽  
Activity Spectrum ◽  
Biological Activity Spectrum

scholarly journals Antioxidant and toxicological potential of the Golden trumpet hydroalcoholic stem bark extract

2020 ◽  
Vol 9 (4) ◽  
pp. e122942936
Author(s):  
Márcio Tavares Costa ◽  
Aline da Silva Goulart ◽  
Jefferson de Jesus Soares ◽  
Andréia Caroline Fernandes Salgueiro ◽  
Hemerson Silva Da Rosa ◽  
...  
Keyword(s):  
Biological Activity ◽  
Antioxidant Capacity ◽  
In Silico ◽  
Stem Bark ◽  
Bark Extract ◽  
Antioxidant Power ◽  
Activity Spectrum ◽  
Stem Bark Extract ◽  
Biological Activity Spectrum ◽  
Colorimetric Methods

Handroanthus chrysotrichus is a tree of the Bignoniaceae family known as golden trumpet that is distributed throughout Northeast, Southeast and South Brazil. Its flowers, stem and bark are used for medicinal purposes in the treatment of cardiovascular and immune system diseases. This study aims to evaluate the phytochemical profile, biological activity spectrum, antioxidant capacity and toxicological potential of H. chrysotrichus stem bark extract. Hydroethanolic extract was obtained by percolation and lyophilized. Compounds present in the extract were analyzed by colorimetric methods and by GC-MS. Evaluation of the biological activity spectrum was performed in silico. Antioxidant power was determined by investigation of total antioxidant capacity, iron chelating capacity, DPPH• and ABTS•+ assays, and deoxyribose degradation test. The ability to inhibit Fe+ induced lipoperoxidation was evaluated in mouse brains and livers. Nauplii of Artemia salina were used to evaluate the median lethal dose. Toxicity was assessed by computer simulation, and in vitro in human lymphocytes. As a result, colorimetric methods suggest high levels of polyphenols and GC-MS data indicated the occurrence of α-curcumene, β-bisabolene, 4- (4-methylphenyl) pentanal, pentanoic acid and isoamyl acetate. Computer simulations have pointed biological activities that are in accordance with their traditional use. The H. chrysotrichus stem bark extract exhibited antioxidant activity in several assays and was effective in protecting mouse brains and livers from Fe+ induced lipoperoxidation. H. chrysotrichus stem bark extract showed medium toxicity in A. salina with potential presence of bioactive compounds. In general, the compounds showed low probability of toxicity in silico predictions. There was no cytotoxicity and genotoxicity in human lymphocyte evaluation. The results indicate that H. chrysotrichus stem bark extract has compounds with biological activity spectrum and low toxicological potential. It also shows antioxidant capacity and protective action against lipid peroxidation. The data presented support the medicinal use of golden trumpet and point to it as a promising extract for in vivo evaluations.

Investigating biological activity spectrum for novel quinoline analogues

2007 ◽  
Vol 15 (3) ◽  
pp. 1280-1288 ◽  
Author(s):  
Robert Musiol ◽  
Josef Jampilek ◽  
Katarina Kralova ◽  
Des R. Richardson ◽  
Danuta Kalinowski ◽  
...  
Keyword(s):  
Biological Activity ◽  
Activity Spectrum ◽  
Biological Activity Spectrum

Online resources for the prediction of biological activity of organic compounds

2016 ◽  
Vol 65 (2) ◽  
pp. 384-393 ◽  
Author(s):  
D. S. Druzhilovskiy ◽  
A. V. Rudik ◽  
D. A. Filimonov ◽  
A. A. Lagunin ◽  
T. A. Gloriozova ◽  
...  
Keyword(s):  
Biological Activity ◽  
Organic Compounds ◽  
Online Resources
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