Synthesis, characterization, molecular docking studies and biological activity ofcoumarin linked 2-pyridone heterocycles

In the present paper, the synthesis, characterization, antimicrobial activity and in silico molecular docking study of6-((arylidene)amino)-4-(4-chlorophenyl)-2-oxo-1-((1-(2-oxo-2H-chromen-3-yl)ethylidene)amino)-1,2-dihydropyridine-3,5-dicarbonitriles 4a-o have been reported. Compounds 4d, 4g, 4j, 4k, 4m and 4o show significant activity. Structuredetermination of the synthesized compounds has been done by the standard spectroscopic techniques. It is observed thatbiological activity is influenced by electronic environment of the molecules. Electron withdrawing group at para positionplays a major role for enhancing the biological activity for antibacterial activity and the electron donating group at paraposition for antifungal activity. Compounds 4a-o have been further evaluated for cytotoxicity on HeLa cells. From thecytotoxicity results, compounds have been found to possess low cytotoxicity with potent antimicrobial activity

Synthesis, characterization, molecular docking studies and biological activity of coumarin linked 2-pyridone heterocycles

231-237In the present paper, the synthesis, characterization, antimicrobial activity and in silico molecular docking study of 6-((arylidene)amino)-4-(4-chlorophenyl)-2-oxo-1-((1-(2-oxo-2H-chromen-3-yl)ethylidene)amino)-1,2-dihydropyridine-3,5-dicarbonitriles 4a-o have been reported. Compounds 4d, 4g, 4j, 4k, 4m and 4o show significant activity. Structure determination of the synthesized compounds has been done by the standard spectroscopic techniques. It is observed that biological activity is influenced by electronic environment of the molecules. Electron withdrawing group at para position plays a major role for enhancing the biological activity for antibacterial activity and the electron donating group at para position for antifungal activity. Compounds 4a-o have been further evaluated for cytotoxicity on HeLa cells. From the cytotoxicity results, compounds have been found to possess low cytotoxicity with potent antimicrobial activity

Genomic regions associated with resistance to peanut bud necrosis disease (PBND) in a recombinant inbred line (RIL) population

Parents and 318 F8 recombinant inbred lines (RILs) derived from the cross, TAG 24 × ICGV 86031 were evaluated for peanut bud necrosis disease (PBND) resistance and agronomic traits under natural infestation of thrips at a disease hotspot location for 2 years. Significant genotype, environment and genotype × environment interaction effects suggested role of environment in development and spread of the disease. Quantitative trait loci (QTL) analysis using QTL Cartographer identified a total of 14 QTL for six traits of which five QTL were for disease incidence. One quantitative trait locus q60DI located on LG_AhII was identified using both QTL Cartographer and QTL Network. Another QTL q90DI was detected with a high PVE of 12.57 using QTL Cartographer. A total of nine significant additive × additive (AA) interactions were detected for PBND disease incidence and yield traits with two and seven interactions displaying effects in favour of the parental and recombinant genotype combinations, respectively. This is the first attempt on QTL discovery associated with PBND resistance in peanut. Superior RILs identified in the study can be recycled or released as variety following further evaluations

Synthesis and biological study of some new chalcone and pyrazole derivatives

807-809Substituted chalcone and pyrazole derivatives have been synthesized by reacting 3-isopropyl-4-methoxybenzaldehyde with various aromatic ketones by using alkali as catalyst to afford (E)-3-(3-Isopropyl-4-methoxyphenyl)-1-aryl-prop-2-en-1-ones 2a-j. Compounds <b style="mso-bidi-font-weight: normal">2a-j on reaction with hydrazine hydrate in the presence of glacial acetic acid give 1-acetyl-3-aryl-5-(3-isopropyl-4-methoxyphenyl)pyrazoles 3a-j. The homogeneity of all the newly synthesized compounds has been checked by TLC. Their IR, 1H NMR, mass spectral data and elemental analysis are in accord with the assigned structure. All the newly synthesized compounds have been screened for antimicrobial activity

Visible light-driven photocatalysts, quantum chemical calculations, ADMET-SAR parameters, and DNA binding studies of nickel complex of sulfadiazine

Abstract A 3D-supramolecular nickel integrated Ni-SDZ complex was synthesized using sodium salt of sulfadiazine as the ligand and nickel(II) acetate as the metal salt using a condensation process and slow evaporation approach to growing the single crystal. The metal complex was characterized for its composition, functional groups, surface morphology as well as complex 3D structure, by resorting to various analytical techniques. The interacting surface and stability as well as reactivity of the complex were carried out using the DFT platform. From ADMET parameters, human Intestinal Absorbance data revealed that the compound has the potential to be well absorbed, and also Ni-SDZ complex cannot cross the blood–brain barrier (BBB). Additionally, the complex's DNA binding affinity and in-vivo and in-vitro cytotoxic studies were explored utilizing UV–Vis absorbance titration, viscosity measurements, and S. pombe cells and brine shrimp lethality tests. In visible light radiation, the Ni-SDZ complex displayed exceptional photo-degradation characteristics of approximately 70.19% within 70 min against methylene blue (MB)