Harita Putcha A N V, Kumar Putcha Seshi, Reddy Guduru Shiva Krishna, Ravula Parameshwar, Narendra Sharath Chandra J N
Department of Medicinal Chemistry, Guru Nanak Institutions Technical Campus, School of Pharmacy, Jawaharlal Nehru Technological University, Hyderabad-501301, India.
Shantha Biotechnics private limited. A Sanofi company, Medchal, India-501401.
EXCLI J. 2017 Aug 14;16:1090-1098. doi: 10.17179/excli2017-193. eCollection 2017.
A novel series of medium size (S)-3-alkyl-3,4,6,7-tetrahydro-1H-benzo[e][1,4]diazonine-2,5-dione analogues were synthesized from (E)-3-(2-nitrophenyl)acrylicacid reacting with various amino acid esters using Di-isopropyl Carbodiimide as a coupling agent. The final cyclization is carried out by using reagent 1-Ethyl-3(3-dimethylaminopropyl) Carbodiimide Hydrochloride. The synthesized compounds have been supported by Mass, H-NMR and C-NMR. Further antibacterial studies were conducted, where some molecules are noticed with potent activity, especially molecule shown highest activity which was also supported by molecular docking studies. All final molecules were docked with enzyme peptide deformylase to determine the probable binding conformation.
通过使用二异丙基碳二亚胺作为偶联剂,使(E)-3-(2-硝基苯基)丙烯酸与各种氨基酸酯反应,合成了一系列新型的中等大小的(S)-3-烷基-3,4,6,7-四氢-1H-苯并[e][1,4]二氮杂环庚烷-2,5-二酮类似物。最终的环化反应使用1-乙基-3(3-二甲基氨基丙基)碳二亚胺盐酸盐试剂进行。合成的化合物已通过质谱、氢核磁共振和碳核磁共振得到证实。进一步进行了抗菌研究,发现一些分子具有强效活性,特别是显示出最高活性的分子,分子对接研究也证实了这一点。所有最终分子都与酶肽脱甲酰基酶对接,以确定可能的结合构象。