02005nas a2200265   4500008004100000022001400041245021100055210006900266260000800335300001200343490000700355520100000362653002501362653002201387653002101409653002201430653002001452100002501472700002601497700002601523700002001549700002001569700002301589856012701612       2023                        eng d  a0039-791100aUltrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies0 aUltrasound assisted green protocol for the synthesis of quinoxal  cJUN  a835-8540 v533 a<p>
	A series of novel quinoxaline based bisspirooxindolo-pyrrolizidines were synthesized through 1,3-dipolar cycloaddition under ultrasonication with shorter reaction time and good yields. The compounds were well characterized by various spectroscopic methods and finally single crystal X-ray diffraction method (4c, 4d). DFT energy calculations confirm the regioselectivity due to enone umpolung effect. The in vitro anti-cancer activity of the synthesized compounds (4a-s) shows that the compounds 4g and 4q exhibited good anti-cancer activity with IC50 values14.51 +/- 1.1 and 11.36 +/- 0.23 mu M against DU-145 prostate cancer cell line; and 16.78 +/- 0.95 and 14.28 +/- 0.64 mu M against Hela cervical cancer cell lines when compared to the standard anti-cancer drug doxorubicin (1.75 +/- 0.06 and 1.35 +/- 0.09 mu M). In silico molecular docking studies indicated that the synthesized compounds may serve as a potential lead for the further development of novel anti-cancer agents.</p>
10aAnti-cancer activity10abisspirooxindoles10aDFT calculations10aHirshfeld surface10aultrasonication1 aBaddepuri, Sravanthi1 aAllaka, Bhargava, Sai1 aGamidi, Rama, Krishna1 aFaizan, Mohmmad1 aPawar, Ravinder1 aBasavoju, Srinivas  uhttp://library.ncl.res.in/content/ultrasound-assisted-green-protocol-synthesis-quinoxaline-based-bisspirooxindoles-crystal02377nas a2200193   4500008004100000022001400041245020900055210006900264260000900333300001400342490000700356520157400363100002501937700002601962700001901988700002402007700002302031856012902054       2024                        eng d  a1144-054600aUltrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions0 aUltrasoundassisted ionic liquidmediated green method for synthes  cJUN   a9970-99800 v483 a<p>
	The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by using an ionic liquid ([Bmim]BF4) under ultrasonication. The title compounds 4a-4ad with a general molecular formula CaHbX(0-2)NcOd (X = F/Cl/Br) were produced with high yields in shorter reaction time and well characterized by using spectral techniques; and finally single crystal X-ray diffraction method (4b). The newly synthesized compounds were evaluated for their in vitro anti-TB activity against Mycobacterium tuberculosis H37Rv strain. Among all, six compounds 4e (C36H29N5O4), 4g (C34H28N4O3), 4q (C36H28F2N4O2), 4r (C36H28ClFN4O2), 4y (C36H29BrN4O2) and 4z (C36H28BrFN4O2) exhibited significant anti-TB activity with MIC value 6.25 mu g mL-1, when compared to the standard drug ethambutol (MIC:1.56 mu g mL-1). In silico molecular docking studies were performed against M. tuberculosis enoyl-acyl carrier protein reductase inhibitor. The compounds 4o, 4p, 4y and 4aa were exhibited least binding energies -12.58, -12.61, -12.58 and -12.57 kcal mol-1, respectively. These results reveal that the produced compounds might be used for the future generation of novel anti-TB drugs. The study aims to develop and synthesis of a novel series of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives as potent anti-TB agents via an efficient green approach by using an ionic liquid ([Bmim]BF4) under ultrasonication.</p>
1 aBaddepuri, Sravanthi1 aGamidi, Rama, Krishna1 aKumari, Jyothi1 aSriram, Dharmarajan1 aBasavoju, Srinivas  uhttp://library.ncl.res.in/content/ultrasound-assisted-ionic-liquid-mediated-green-method-synthesis-13-diphenylpyrazole-based