@article {46864,
	title = {Synthesis and biological activity of imidazole based 1,4-naphthoquinones},
	journal = {New Journal of Chemistry},
	volume = {44},
	year = {2020},
	month = {MAY },
	pages = {6889-6901},
	type = {Article},
	abstract = {<p>Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.</p>
},
	issn = {1144-0546},
	doi = {10.1039/c9nj04339j},
	author = {Choudhari, Dinkar and Salunke-Gawali, Sunita and Chakravarty, Debamitra and Shaikh, Samir R. and Lande, Dipali N. and Gejji, Shridhar P. and Rao, Pradeep Kumar and Satpute, Surekha and Puranik, Vedavati G. and Gonnade, Rajesh}
}
@article {49958,
	title = {Structural characterisation, anticancer properties, and BSA binding of 2,6-dipyrazinylpyridines: Insights from experiment and theory},
	journal = {Journal of Molecular Structure},
	volume = {1351},
	year = {2026},
	month = {FEB },
	pages = {144225},
	type = {Article},
	abstract = {<p>
	The phenyl-(2,6-di-2-pyrazinyl)pyridine derivatives (L1, L2) were synthesized using a one-pot Krohnke-type method, starting from 2-acetylpyrazine and substituted benzaldehydes. Their structures were characterized using a combination of spectroscopic (NMR, HRMS) and single-crystal X-ray diffraction techniques, complemented by density functional theory (DFT). Single-crystal X-ray diffraction reveals that L1 crystallizes in the C2/c space group (T = 296 K) with its supramolecular assembly being stabilized by C-H \&amp; ctdot;N and pi-pi stacking interactions, whereas L2 facilitates C-H \&amp; ctdot;N, N-H \&amp; ctdot;pi bifurcated, and pi-pi* interactions. The bio-interaction properties of L1 were studied using fluorescence spectroscopy with bovine serum albumin (BSA) as a model protein. Fluorescence studies demonstrated L1 induces static quenching of BSA, with a binding constant of 5.15 x 104 mol \&amp; sdot;dm-3. Synchronous and three-dimensional fluorescence spectra further demonstrated that L1 brings forth significant conformational changes in BSA. The compounds were evaluated for cytotoxicity against the HCT-116 human colorectal cancer cell line.</p>
},
	keywords = {2, 6-dipyrazinylpyridines, Bovine serum albumin interaction, Cytotoxicity (HCT-116 cells), Density functional theory, Halogenated derivatives, Single-crystal X-ray diffraction},
	issn = {0022-2860},
	doi = {10.1016/j.molstruc.2025.144225},
	author = {Enumula, Sreenivasulu and Shaikh, Javed and Shaikh, Amin and Sheikh, Kounsar N. and Tambe, Pranav and Lande, Dipali N. and Gejji, Shridhar P. and Shaligram, Parth and Gonnade, Rajesh and Bhadbhade, Mohan and Ahmed, Khursheed}
}
