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A series of 2,3-disubstituted quinazolin-4(1H)-ones (3a–j) were screened for their antimicrobial activity via the minimum inhibitory concentration method (MIC). The in vitro anti-tubercular (TB) activity of compounds against Mycobacterium tuberculosis (Mtb) H37Rv was evaluated. Among the screened compounds, 3g and 3h exhibited more potent anti-TB activity with MIC values of 2.15 and 0.75 μM, respectively. The compound 3g and 3h were tested for cytotoxic activity against the mammalian Vero cell line. Docking studies were performed on the enoyl acyl carrier protein (InhA) to understand the mechanism of actions of the compounds. The study revealed that the compounds have a strong anti-TB activity and showed a good affinity toward the protein. Hence, the target compounds 3g and 3h can be adapted and produced more effectively as lead compounds in the treatment of multi-drug resistant tuberculosis. Furthermore, the interaction of lead compounds 3g and 3h with DNA was studied by UV-Visible, fluorescence, and circular dichroism (CD) spectroscopy, cyclic voltammetry (CV) and dynamic viscosity measurements. The studies showed that the groove binding mode of interaction is predominant between DNA and compounds (3g and 3h). The viscosity and absorption results obtained for compound 3g indicated that the Ct-DNA binding properties were enhanced as compared to compound 3h with Kb values of 8.58 × 104 and 3.41 × 104 L Mol−1, respectively. The B3LYP level of density functional theory (DFT) was used to obtain ground state geometries, molecular electrostatic potential (MEP) surfaces, and HOMO–LUMO energy calculations.

Using Cu(I)-catalyzed cycloaddition of alkyne and azide reaction (CuAAC), a series of novel 1,2,3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized molecules were characterized by spectroscopic techniques such as 1H NMR, 13C NMR, mass and elemental analysis. Antitubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv (Mtb) and cytotoxic activity against the mammalian Vero cell line was screened for the synthesized compounds. The compounds 3d and 3e displayed potent in vitro antitubercular activity and may serve as a lead for further optimization. Besides, the experimental findings were in line with the results of molecular docking. Also, the synthesized compounds have also been analyzed for ADME properties and the experimental finding facilitates the development of new and more potent anti-TB agents in this series in the future. Using fluorescence and UV-vis absorption spectroscopy, the binding interaction of compounds (3d and 3e) with human serum albumin (HSA) was investigated. The results showed that, as a result of HSA-compound complex, the fluorescence quenching of HSA by test compounds was a static quenching process. According to Forster's theory, energy transfer efficiency is calculated.

The variation in the electrical resistivity of the chalcogenide glasses Ge 15Te85-xInx has been studied as a function of high pressure for pressures up to 8.5GPa. All the samples studied undergo a semi-conductor to metallic transition in a continuous manner at pressures between 1.5-2.5GPa. The transition pressure at which the samples turn metallic increases with increase in percentage of Indium. This increase is a direct consequence of the increase in network rigidity with the addition of Indium. At a constant pressure of 0.5GPa, the normalized resistivity shows some signature of the existence of the intermediate phase. Samples recovered after a pressure cycle remain amorphous suggesting that the semi-conductor to metallic transition arises from a reduction of the band gap due to pressure or the movement of the Fermi level into the conduction or valence band.