@article {49145,
	title = {Design and synthesis of novel quinazolinyl-bisspirooxindoles as potent anti-tubercular agents: an ultrasound-promoted methodology},
	journal = {Molecular Diversity },
	volume = {27},
	year = {2023},
	month = {JUN},
	pages = {1427-1436},
	type = {Article},
	abstract = {<p>
	The essential need for the potent anti-tubercular (anti-TB) agents with high selectivity and safety profile prompted us to synthesize a new series of quinazolinyl-bisspirooxindoles. The title compounds were synthesized by one-pot multicomponent [3 +2] cycloaddition reaction under ultrasonication. Further, in vitro anti-TB activity was evaluated against Mycobacterium tuberculosis H37Rv. Among the screened compounds, two compounds (4q and 4x) showed potent activity with MIC value 1.56 mu g/mL and four compounds exhibited significant activity (MIC =3.125 mu g/mL), and also cytotoxicity studies against RAW 264.7 cell lines reveal that most active compounds were less toxic to humans. In addition, in order to demonstrate the inhibitory properties, molecular docking studies were carried out and the results showed that the target compounds have good binding energy and better binding affinity within the active pocket, thus these compounds may consider to be as potent inhibitors toward selective targets.</p>
},
	keywords = {anti-tubercular activity, bisspirooxindoles, Cytotoxicity screening, Molecular docking studies, ultrasonication},
	issn = {1381-1991},
	doi = {10.1007/s11030-022-10500-x},
	author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Rekha, Estharla Madhu and Sriram, Dharmarajan and Krishna, Gamidi Rama}
}
@article {49930,
	title = {An ultrasound-assisted green synthesis of 1,3-diphenyl pyrazole-based spirooxindolo-1,2,4-oxadiazoles: their in vitro anti-tubercular activity and in silico molecular dynamics},
	journal = {Chemistryselect},
	volume = {10},
	year = {2025},
	month = {OCT},
	pages = {e01693},
	type = {Article},
	abstract = {<p>
	A simple base-mediated one-pot synthetic green methodology has been successfully employed for the synthesis of 1,3-diphenylpyrazole-based spirooxindolo-1,2,4-oxadiazole derivatives. The newly synthesized analogues were tested for their in vitro anti-tubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv strain, and the results were reported as minimum inhibitory concentration (MIC) values ranging from 3.125 to 25 mu g/mL. Especially, the five compounds 3a, 3f, 3k, 3q, and 3v exhibited good to moderate anti-TB activity with MIC of 3.125 mu g/mL when compared to the reference drug ethambutol (MIC: 1.56 mu g/mL). In silico Molecular docking and molecular dynamics simulations of the protein-ligand complex (3a, 3f, 3k, and 3v) against Mycobacterium tuberculosis DprE1 (PDB ID: 5OEQ) of M. tuberculosis H37Rv strain revealed that these four compounds could be promising anti-mycobacterial candidates, as evident from the binding results and stability of the docked-ligand complexes with considerable least binding energies. ADME parameters were also studied to assess the drug likeness, which clearly shows that the newly developed compounds might be useful for the future development of novel anti-tubercular drugs.</p>
},
	keywords = {1, 2, 4-oxadiazoles, In silico molecular dynamic studies, In vitro anti-tubercular activity, ultrasonication},
	issn = {2365-6549},
	doi = {10.1002/slct.202501693},
	author = {Baddepuri, Sravanthi and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Gangarapu, Kiran and Basavoju, Srinivas}
}
