@article {44498,
	title = {Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars},
	journal = {Synthetic Communications},
	volume = {48},
	year = {2018},
	month = {JAN},
	pages = {524-540},
	type = {Journal Article},
	abstract = {<p>A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG in active and dormant state using an established methods. Compounds 5a, 5m, and 5t were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.</p>},
	keywords = {antibacterial activity, antituberculosis activity, cytotoxicity activity},
	issn = {397911},
	doi = {10.1080/00397911.2017.1410892},
	author = {Desai, N. C.},
	editor = {Trivedi, Amit}
}
@article {47040,
	title = {Two antibacterial spiro compounds from the roots of Artemisia pallens wall: evidence from molecular docking},
	journal = {Natural Product Research},
	volume = {36},
	year = {2022},
	month = {MAY},
	pages = {2465-2472},
	type = {Article},
	abstract = {<p>Bioassay-guided isolation from acetone extract of the roots of Artemisia pallens Wall yielded two spiro compounds (1 and 2). The structures of these compounds were determined on the basis of spectroscopic techniques such as IR, MS, 1 D and 2 D- NMR. The acetone extract, fractions and the isolated two compounds were investigated for their antibacterial activity against two gram negative (E. coli, P. aeruginosa) and two gram positive (S. aureus, B. subtilis) bacterial strains. Compound (2) showed the best spectra of activity with IC50 and MIC values between 2.48-3.08 and 12.78 - 21.77 mu M and Compound (1) with 2.57-3.69 and 38.17 - 80.57 mu M, respectively, for the four bacterial strains, whereas inactive against Mycobacterium tuberculosis. Molecular docking study could further help in understanding the various interactions between these compounds and DNA gyrase active site in detail and thereby could provide valuable insight into the mechanism of action.</p>
},
	keywords = {antibacterial activity, antimycobacterial activity, Artemisia pallens, Asteraceae, Molecular docking, spiro compound},
	issn = {1478-6419},
	doi = {10.1080/14786419.2021.1902325},
	author = {Honmore, Varsha S. and Natu, Arun D. and Khedkar, Vijay M. and Arkile, Manisha A. and Sarkar, Dhiman and Rojatkar, Supada R.}
}
