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We present the structure of a photoactivated animal (6-4) photolyase in its radical pair state, captured by serial crystallography. We observe how a conserved asparigine moves towards the semiquinone FAD...

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The current study evaluates antidiabetic, anticoagulant, and antiplatelet activity of novel benzimidazole-containing quinolinyl oxadiazoles. These derivatives are synthesized and characterized using spectroscopy (FT-IR, 1H NMR, and mass spectroscopy) and single-crystal X-ray diffraction methods. The inhibitory effects of these compounds were evaluated by the α-glucosidase inhibitory assay and shows the activity in the range of IC50 = 0.66 ± 0.05 to 3.79 ± 0.46 μg/mL. In addition, molecular docking studies revealed that benzimidazole-containing quinolinyl oxadiazoles can correctly dock into the target receptor protein of the human intestinal α-glucosidase, while their bioavailability/drug-likeness was predicted to be acceptable but requires further optimization. On the other hand, compound 8a and 8d showed anticoagulant activity as they enhanced the clotting time from control 180–410 and 180–390 s, respectively, in platelet rich plasma and 230–460 and 230–545 s in platelet poor plasma. Furthermore, only 8a showed antiplatelet activity by inhibiting epinephrine-induced platelet aggregation, and the observed aggregation inhibition was found to be 93.4%. Compounds 8a–f show nontoxic properties because of the non-hydrolyzing properties in the RBC cells. In addition, 8a and 8d show anti-edema and anti-hemorrhagic properties in the experimental mice. These findings reveal that benzimidazole-containing quinolinyl oxadiazoles act as α-glucosidase inhibitors to develop novel therapeutics for treating type-II diabetes mellitus and can act as lead molecules in drug discovery as potential antidiabetic and antithrombotic agents.

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This work reports an eco-friendly synthesis of silver nanoparticles (AgNPs) using endophytic bacteria, Cytobacillus firmus isolated from the stem bark of Terminalia arjuna. The synthesis of AgNPs was confirmed by visual observation as a change in color of the bacterial solution impregnated with silver. Further, the morphology of the AgNPs, average size, and presence of elemental silver were characterized by UV–Visible spectroscopy, scanning electron microscopy, and dynamic light scattering spectroscopy. The roles of endophytic secondary metabolites in the metal reduction, stabilization, and capping of silver nanoparticles were studied by qualitative FTIR spectral peaks. The antimicrobial ability of AgNPs was evaluated against Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria and pearl millet blast disease-causing fungi (Magnoporthe grisea). The biosynthesized AgNPs showed good antibacterial and antifungal activities. AgNPs effectively inhibited the bacterial growth in a dose-dependent manner and presented as good antifungal agents towards the growth of Magnoporthe grisea.

To avert the menace of pathogens in medical parlance, emerging attractive strategy is combining two different active fragments in a single molecule for scientific solutions. Trisubstituted imidazo[1,2-a]pyridine-carboxylate was engrossed as a hybrid with oxadiazole. The three dimensional and crystal structures of compounds 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-(4 e) were determined using single crystal X-ray diffraction studies and their crystal packing was analyzed using Hirshfeld surface computational analysis. The molecular conformation of 4 c (planar) and 4 e (twisted) and crystal packing is different and this may be due to substitution effect. In addition, both compounds have common intermolecular interactions of the type C-H…π and intercontacts H…H contributes more to the Hishfeld surfaces. Screening for microbial activity acknowledged, 2,8-dimethyl-3-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl] imidazo[1,2-a]pyridine (4 f) and 6-chloro-2-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridine (4 g) as most effective against Staphyllococus aureus, over all other derivatives. Meanwhile, 4 f also showed pronounced antifungal activity against Candida albicans. Further 4 f was endorsed by time kill assay as bactericidal in its action.[a] S.

The present work reports the design, synthesis, characterization and antibacterial screening of novel aminothiazole derivatives as FabH inhibitor [β-ketoacyl-ACP synthase (KAS)] which plays major role in bacterial cell wall construction. The compound 5d had crystallized in monoclinic, P21/c space group which was determined by single-crystal X-ray crystallography. In vitro antibacterial activity studies were carried out on S. aureus (MCC 2043), E. faecalis (MTCC 2729), E. coli MTCC443 and C. violaceus (MCC 2216). Most of the compounds showed potent inhibition activity against Gram-negative bacteria than Gram-positive bacteria. Compound 5a showed the highest zone of inhibition of 16 mm and MIC value of 5.33 μM which is comparable to that of the standard antibiotic, streptomycin. This result was ably complimented by in silico studies where compound 5a exhibited high affinity, strong binding energy and docking score of 6.214 kcal mol −1. The most potent compounds were nonhemolytic and nontoxic to mammalian cells.