@article {49343,
	title = {Design, synthesis, anti-mycobacterial activity, molecular docking and ADME analysis of spiroquinoxaline-1,2,4-oxadiazoles via [3+2] cycloaddition reaction under ultrasound irradiation},
	journal = {MOLECULAR DIVERSITY},
	volume = {28},
	year = {2024},
	month = {DEC 2024},
	pages = {3979-3991},
	type = {Journal Article},
	keywords = {2, 4-oxadiazoles, cytotoxicity activity, molecular, Mycobacterium tuberculosis, Spiroquinoxaline-1},
	issn = {1381-1991},
	doi = {10.1007/s11030-023-10790-9},
	author = {Kanchrana, Madhu and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas}
}
@article {49438,
	title = {Green one-pot three component synthesis of thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidines with [Bmim]BF4: their in vitro and in silico anti-TB studies},
	journal = {Molecular Diversity},
	year = {2024},
	month = {MAY},
	type = {Article; Early Access},
	abstract = {<p>
	A simple and effective three-component one-pot green methodology was employed for the synthesis of a new thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidine derivatives using [Bmim]BF4 ionic liquid via [3 + 2] cycloaddition reaction. It is an environmentally benign, column chromatography-free, shorter reaction time, good yield and easy product isolation method. The synthesized compounds 10a-x, were thoroughly characterized by using various spectroscopic methods like FT-IR, H-1 NMR, C-13 NMR, Mass spectrometry and finally by single crystal X-ray diffraction method. In vitro anti-tubercular (anti-TB) activity studies were carried out on these synthesized compounds, and they showed good to moderate anti-TB activity against Mycobacterium tuberculosis H37Rv strain. The compound 10a exhibited good anti-TB activity, with an MIC (Minimum Inhibitory Concentration) value of 12.5 mu g/mL, and the compounds 10m, 10o and 10r showed moderate activity with an MIC value of 25.0 mu g/mL. Remaining compounds exhibited poor activity against Mycobacterium tuberculosis. Ethambutol, rifampicin and isoniazid were used as standard drugs. Furthermore, in silico molecular docking experiments on the TB protein (PDB ID: 1DF7) were carried out to understand the binding interactions, and they showed least binding energy values ranging from -8.9 to -7.2 kcal/mol.</p>
},
	keywords = {4-dione based bisspirooxindolo-pyrrolidines, Anti-TB activity, green synthesis, Molecular docking, Thiazolidine-2, [3+2] cycloaddition reaction, [Bmim]BF4},
	issn = {1381-1991},
	doi = {10.1007/s11030-024-10853-5},
	author = {Rukyanaik, V. and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas}
}
@article {49090,
	title = {Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions},
	journal = {New Journal of Chemistry},
	volume = {48},
	year = {2024},
	month = {JUN },
	pages = {9970-9980},
	type = {Article},
	abstract = {<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>
},
	issn = {1144-0546},
	doi = {10.1039/d4nj00563e},
	author = {Baddepuri, Sravanthi and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas}
}
