Novel Organo Phosphonate-1,2,3 Triazole Derivatives: Molecular Properties Prediction

Jhonsee Rani Telu; Naveen Kuntala; Jaya Shree Anireddy; Sarbani Pal

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Novel Organo Phosphonate-1,2,3 Triazole Derivatives: Molecular Properties Prediction

机译：新型有机膦酸酯-1,2,3三唑衍生物：分子特性预测

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In the present scenario drug discovery and development processes are expensive and time consuming. To resolve this, we utilised the Lipinski’s rule (Ro5) methodology, which appears to be useful in defining drugability. In the present investigation, we reported the synthesis and evolution of antibacterial activity of title compounds and according to Rule of 5 series, twenty novel ((R)-dimethyl (hydroxy(4-((1-(2-nitrophenyl)- 1H -1,2,3-triazol-4-yl)methoxy)phenyl)methyl)phosphonate-1,2,3-triazole derivatives were subjected to molecular properties prediction, drug likeness by Molinspiration (Molinspiration, 2020) and Molsoft (Molsoft, 2020)? software.

机译：在目前的情景中，药物发现和开发过程昂贵且耗时。为了解决这一点，我们利用了Lipinski的规则（RO5）方法，该方法似乎有助于定义可药性。在目前的研究中，我们报道了标题化合物的抗菌活性的合成和演化，并根据5系列的规则，二十个新的（（R） - 二甲基（羟基（（1-（2-硝基苯基） - 1H - 1,2,3-三唑-4-基）甲氧基）苯基）甲基）膦酸盐-1,2,3-三唑衍生物进行分子特性预测，莫勒斯（Molinspiration，2020）和Molsoft（Molsoft，2020））？软件。

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《Chemical Science International Journal》 |2020年第10期|共7页
作者
Jhonsee Rani Telu; Naveen Kuntala; Jaya Shree Anireddy; Sarbani Pal;
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中图分类化学;
关键词
Organo phosphorous triazolesazide-alkyne cycloadditionmolinspirationmolsoft.;

机译：有机族磷三唑氮杂氮杂萘锡 - 炔环加入莫尔辛斯炉炉炉。;

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机译：两种三唑衍生物的晶体和分子结构：4-环丙基-4,5-二氢-1H-1,2,3-三唑和1-苄基-1H-1,2,3-三唑-4-羧酸甲酯
2. Crystal and Molecular Structures of Two Triazole Derivatives: 4-Cyclopropyl-4,5-dihydro-1H-1,2,3-triazole and Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate [J] . Journal of Chemical Crystallography . 2010,第12期

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6. Synthesis Antiproliferative Activity and Molecular Properties Predictions of Galloyl Derivatives [O] . Marciane Maximo da Silva, Marina Comin, Thiago Santos Duarte, 2015

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机译：2-苯基-4,5-二苯胺基-2H-1,2,3-三唑的晶体和分子结构;三唑环的不对称性与苯胺基取代基构象的相关性

Novel Organo Phosphonate-1,2,3 Triazole Derivatives: Molecular Properties Prediction

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