Kumar Vijay, Singh Simranjeet, Singh Rohit, Upadhyay Niraj, Singh Joginder
Regional Ayurveda Research Institute for Drug Development, Gwalior, 474009 India.
Government of India, Ministry of Agriculture, Regional Pesticides Testing Laboratory, Chandigarh, 160030 India.
J Chem Biol. 2017 Jul 9;10(4):179-190. doi: 10.1007/s12154-017-0174-z. eCollection 2017 Oct.
The present study was designed to synthesize the bioactive molecule 2,2-bis(2,4-dinitrophenyl)-2-(phosphonatomethylamino)acetate (), having excellent applications in the field of plant protection as a herbicide. Structure of newly synthesized molecule was confirmed by using the elemental analysis, mass spectrometric, NMR, UV-visible, and FTIR spectroscopic techniques. To obtain better structural insights of molecule , 3D molecular modeling was performed using the GAMESS programme. Microbial activities of were checked against the pathogenic strains (NCIM 902) and (NCIM 2501). Molecule has shown excellent activities against fungal strain (35 μg/l) and bacterial strain (25 μg/l). To check the medicinal significance of molecule , interactions with bovine serum albumin (BSA) protein were checked. The calculated value of binding constant of molecule -BSA complex was 1.4 × 10 M, which were similar to most effective drugs like salicylic acid. More significantly, as compared to herbicide glyphosate, molecule has exhibited excellent herbicidal activities, in pre- and post-experiments on three weeds; barnyard grass (), red spranglitop (), and yellow nuts (). Further, effects of molecule on plant growth-promoting rhizobacterial (PGPR) strains were checked. More interestingly, as compared to glyphosate, molecule has shown least adverse effects on soil PGPR strains including the (NCIM 2749), (NCIM 5096), and (NCIM 2847).
本研究旨在合成生物活性分子2,2-双(2,4-二硝基苯基)-2-(膦酰基甲基氨基)乙酸酯（ ），其作为除草剂在植物保护领域有出色的应用。通过元素分析、质谱、核磁共振、紫外可见光谱和傅里叶变换红外光谱技术确认了新合成分子 的结构。为了更好地了解分子 的结构，使用GAMESS程序进行了三维分子建模。检测了 对致病菌株 （NCIM 902）和 （NCIM 2501）的微生物活性。分子 对真菌菌株 （35 μg/l）和细菌菌株 （25 μg/l）显示出优异的活性。为了检验分子 的药用意义，检测了其与牛血清白蛋白（BSA）蛋白的相互作用。分子 -BSA复合物的结合常数计算值为1.4×10 M，与水杨酸等最有效的药物相似。更显著的是，与除草剂草甘膦相比，分子 在对三种杂草（稗草（ ）、红顶草（ ）和黄独（ ））的苗前和苗后实验中表现出优异的除草活性。此外，检测了分子 对植物促生根际细菌（PGPR）菌株的影响。更有趣的是，与草甘膦相比，分子 对包括 （NCIM 2749）、 （NCIM 5096）和 （NCIM 2847）在内的土壤PGPR菌株的不利影响最小。
