@article {44512,
	title = {Synthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents},
	journal = {Research on Chemical Intermediates},
	volume = {44},
	year = {2018},
	month = {MAY},
	pages = {1-28},
	type = {Journal Article},
	abstract = {<p>The synthesis of a new series of triazole-biscoumarin conjugates by using a molecular hybridization approach is described. The newly synthesized compounds 6a{\textendash}k were evaluated for their in vitro antitubercular activity against active and dormant Mtb H37Ra and anti-oxidant activity against DPPH radical scavenging. Molecular docking simulations for the antitubercular activity showed that the conjugates 6a{\textendash}k bind in the pocket of the DprE1 enzyme. Most of the conjugates displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6h displayed very good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1.44 μg/mL. Most of the synthesized conjugates exhibit excellent anti-oxidant activity with an IC50 of less than the standard BHT. Compound 6b is the most active among all the conjugates with an IC50 value of 08.17 {\textpm} 0.11 μg/mL. The molecular docking study shows good agreement between the observed antitubercular activity and the binding affinity.</p>},
	keywords = {1, 2, 3-triazoles, Anti-oxidant activity, Antitubercular activity, Biscoumarins, Molecular docking},
	issn = {9226168},
	doi = {10.1007/s11164-018-3490-1},
	author = {Danne, Ashruba B.},
	editor = {Choudhari, Amit S.}
}
@article {44625,
	title = {Triazole-diindolylmethane conjugates as new antitubercular agents: synthesis, bioevaluation, and molecular docking},
	journal = {MedChemComm},
	volume = {9},
	year = {2018},
	month = {JUL },
	pages = {1114-1130},
	abstract = {<p>We describe the synthesis of novel triazole-incorporated diindolylmethanes (DIMs) using a molecular hybridization approach. The in vitro antitubercular activity of the DIMs against Mycobacterium tuberculosis H37Ra (ATCC 25177) was tested in the active and dormant state. Among all the synthesized conjugates, the compounds 6b, 6f, 6l, 6n, 6q, 6r, and 6s displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6l exhibited good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1 g mL(-1) and IC90 (MIC) value of 3 g mL(-1). The compounds 6b, 6l, and 6r displayed good antitubercular activity against active Mtb H37Ra with IC50 values of 2.19, 1.52, and 0.22 g mL(-1), respectively. The compounds 6b, 6h, 6l, and 6s displayed more than 70\% inhibition against the Gram-positive Bacillus subtilus strain at 3 g mL(-1). The molecular docking study showed the binding modes of the titled compounds in the active site of the DprE1 enzyme and assisted with elucidating a structural basis for the inhibition of Mycobacteria.</p>},
	issn = {2040-2503},
	doi = {10.1039/c8md00055g},
	author = {Danne, Ashruba B. and Choudhari, Amit S. and Chakraborty, Shakti and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.}
}
@article {47727,
	title = {New 1,2,3-triazole-appended bis-pyrazoles: synthesis, bioevaluation, and molecular docking},
	journal = {ACS Omega},
	volume = {6},
	year = {2021},
	month = {SEP},
	pages = {24879-24890},
	type = {Article},
	abstract = {The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14 alpha-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data.},
	issn = {2470-1343},
	doi = {10.1021/acsomega.1c03734},
	author = {Danne, Ashruba B. and Deshpande, V, Mukund and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Shingate, Bapurao B.}
}
