Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

Wyszukujesz frazę "QSAR modeling" wg kryterium: Temat


Wyświetlanie 1-2 z 2
Tytuł:
QSAR modeling for prediction of acute toxicity and mutagenicity in different test models by established common phytochemicals present in Phyllanthus niruri
Autorzy:
Dhar, Shrinjana
Gupta, Kaushik
Talapatra, Soumendra Nath
Powiązania:
https://bibliotekanauki.pl/articles/1192089.pdf
Data publikacji:
2016
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
QSAR modeling
Common phytochemicals
Phyllanthus niruri
T.E.S.T. software
Predictive toxicity and mutagenicity
Opis:
In globe, Pyllanthus niruri is a well-established medicinal herb studied by many researchers, grown widely in many parts of West Bengal. The present study was aimed to predict the acute toxicity as LC50 in Daphnia magna and Pimephales promelas and rat oral LD50 value as well as Ames mutagenicity by using QSAR modeling software, T.E.S.T. (Toxicity Estimation Software Tool) for commonly found phytochemicals in Pyllanthus niruri. In present works, the data were obtained for LC50, few phytochemicals were toxic to D. magna and P. promelas and also mutagenic but rat oral LD50 determined less toxic. The present QSAR modeling work is suggesting that more researches should be required through experimental as well as predictive study with other prescribed software to know the mechanisms of toxicity and mutagenicity for these combined form of phytochemicals after separating each natural chemical from extract prior to drugs development for therapeutic usage.
Źródło:
World Scientific News; 2016, 37; 202-219
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Computational predictive mutagenicity of similar chemicals for anthraquinone, β-sitosterol and quercetin found in Alternanthera tenella by using QSAR modeling software
Autorzy:
Haque, Mahmudul
Bhakat, Ram Kumar
Bhattacharjee, Aloke
Talapatra, Soumendra Nath
Powiązania:
https://bibliotekanauki.pl/articles/1182926.pdf
Data publikacji:
2016
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Allelopathy; Allelochemicals; Alternanthera tenella; Invasive species; Terrestrial ecosystem; Predictive Ames mutagenicity; QSAR modeling; T.E.S.T. software
Opis:
The present study aims to evaluate the mutagenic potential of secondary metabolites viz. anthraquinone, β-sitosterol and quercetin present in Alternanthera tenella and their related analogus compounds similar in their molecular structure. Nine similar putative allelochemicals analogus to each of anthraquninone, β-sitosterol and quercetin respectively were selected, a total of twenty seven similar chemicals were studied for mutagenicity prediction. Ames mutagenicity prediction was carried out by using T.E.S.T. (Toxicity Estimation Software Tool) of USEPA. All experimental metadata were obtained from Toxicity Benchmark and T.E.S.T. The results clearly indicated that the allelochemicals, anthraquinone and its related eight compounds were mutagenic positive except benzanthrone (mutagenic negative) but all experimental data were found mutagenic positive. β-sitosterol showed mutagenic negative in both experimental and predicted value. It’s three related compounds were mutagenic positive but rest six related compounds mutagenic negative in predicted value while in experimental data, seven compounds were found mutagenic positive and rest two mutagenic negative. In case of quercetin, both data were obtained mutagenic positive while in related compounds, seven compounds were found to be mutagenic positive and two compounds mutagenic negative in predicted value. All were found to be mutagenic positive in experimental metadata. Such findings poses a curiosity that are there any possibilities of conversion or substitution in the position of aromatic ring of allelochemicals when present in soil? Because allelopathy depends upon several environmental stressors and mutagenicity may be induced by allelochemicals. It is suggesting for future research to detect metabolic pathway and mechanism of allelochemicals formation in A. tenella in presence of toxins in soil and to validate with other available 2D and 3D softwares.
Źródło:
World Scientific News; 2016, 49, 2; 162-191
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

    Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies