Comparative bio-accessibility, bioavailability and bioequivalence of quercetin, apigenin, glucoraphanin and carotenoids from freeze-dried vegetables incorporated into a baked snack versus minimally processed vegetables:Evidence from in vitro models and a human bioavailability study

The aim was to incorporate vegetables containing the phytochemicals quercetin, apigenin, glucoraphanin and carotenoids into a processed potato-based snack and assess their bioaccessibility and bioavailability. Three different processing routes were tested for incorporation and retention of phytochemicals in snacks using individually quick frozen or freeze-dried vegetables. No significant differences in the uptake or transport of quercetin or apigenin between a vegetable mix or snacks were observed using the CaCo-2 transwell model. Simulated in vitro digestions predicted a substantial release of quercetin and apigenin, some release of glucoraphanin but none for carotenes from either the snack or equivalent steamed vegetables. In humans, there were no significant differences in the bioavailability of quercetin, apigenin or glucoraphanin from the snack or equivalent steamed vegetables. We have shown that significant quantities of freeze-dried vegetables can be incorporated into snacks with good retention of phytochemicals and with similar bioavailability to equivalent steamed vegetables

Computational Evaluation of 2-Phenyl-4H-chromen-4-one Analogues as Antihistamines: Potential Histamine N-Methyltransferase (HMT) Inhibitors

Abnormal release of histamine, which is present in relatively high concentration in the lungs, causes serious allergic vasoconstriction and anaphylactic manifestation in human beings. In mammals, a major pathway of histamine metabolism in the lungs is mediated by histamine N-methyl transferase (HMT) and diamine oxidase. The need to design a strategy of mechanistic computational evaluation of protein-ligand affinity i.e. HMT- 2-phenyl-4H-chromen-4-ones, protein complex binding energy has been established. A library of synthesized 2-phenyl-4H-chromen-4-ones was docked into the active site cavity of target protein, HMT (Pdb: 2aot). The high-resolution crystal structure of HMT complex with the competitive inhibitor N [2 (benzhydryloxy)ethyl] N N-Dimethylamine (Diphenhydramine) revealed a protein with a highly confined binding region that could be targeted in the design of specific anti-histamines. The validation of docking programme by Potential Mean Force was compared with binding energy results of known ligands in the active sites of HMT, diphenhydramine / benadryl, promethazine, cyproheptadine, trimeton / avil etc. All the synthesized chromone derivatives showed comparable negative binding energies pointing towards the fact that these molecules could be potent antihistamines

Syntheses and anti-microbial evaluation of new quinoline scaffold derived pyrimidine derivatives

A series of diversely substituted chalcones derived from a quinoline scaffold, e.g. (E)-3-(2-chloroquinolin-3-yl)-1-(2-hydroxyphenyl) prop-2-en-1-one and its pyrimidine analogues e.g. 2-[2-amino-6-(2-chloroquinolin-3-yl)-5,6-dihydropyrimidin-4-yl]phenols have been prepared by condensation of 2-chloro-3-formyl quinoline with differently substituted 2-hydroxy acetophenones and further treatment with guanidine carbonate. All the newly synthesized compounds have been evaluated for their in vitro growth inhibitory activity against Escherichia coli, Pseudomonas vulgaris, Bacillus subtilis, Staphylococcus aureus, Staphylococcus typhi, Candida albicans, Aspergillus niger and Pseudomonas chrysogenum

ChemInform Abstract: Experimental and Computational Evaluation of New Quinolinyl Chalcones as Potent Antiplasmodial Agents.

1780-1793 In a search for new antiplasmodial agents, a series of thirty five diversely substituted chalcones derived from a quinoline-chalcone scaffold e.g. (E)-3-(2-chloroquinolin-3-yl)-1-(2-hydroxyphenyl) prop-2-en-1-one / (E)-(2-chloro-6-ethoxyquinolin-3-yl) (2-hydroxyphenyl) prop-2-en-1-one and (2Z)-3-(2-chloroquinolin-3-yl)-1-(2-hydroxyphenyl)-3-iodoprop-2-en-1-one are synthesized and studied. Compounds are prepared via Claisen–Schmidt condensations of 2-chloro-3-formyl quinoline / 2-chloro-6-ethoxy-3-formyl quinoline with appropriately substituted 2-hydroxy acetophenones. All compounds are assayed for their binding in the active sites of Plasmodium falciparum lactate dehydrogenase (pfLDH) enzyme. The quinoline chalcone derivatives showed negative binding energies promising potent pfLDH inhibitory activity. Compounds showing the highest negative binding scores have been studied for their in vitro antimalarial activity against cultured Plasmodium falciparum 3D7 strain. The compounds 2c and 2u have completely inhibited the maturation of parasites at MIC 10 µg/mL and above whereas 3b inhibited 95% maturation of parasites at MIC 50 µg/mL. Additional efforts are being directed towards elaborating these leads towards the discovery and development of new quinolinyl heterocycles as anti-malarial agents. </smarttagtype

Experimental and computational evaluation of new quinolinyl chalcones as potent antiplasmodial agents

1780-1793 In a search for new antiplasmodial agents, a series of thirty five diversely substituted chalcones derived from a quinoline-chalcone scaffold e.g. (E)-3-(2-chloroquinolin-3-yl)-1-(2-hydroxyphenyl) prop-2-en-1-one / (E)-(2-chloro-6-ethoxyquinolin-3-yl) (2-hydroxyphenyl) prop-2-en-1-one and (2Z)-3-(2-chloroquinolin-3-yl)-1-(2-hydroxyphenyl)-3-iodoprop-2-en-1-one are synthesized and studied. Compounds are prepared via Claisen–Schmidt condensations of 2-chloro-3-formyl quinoline / 2-chloro-6-ethoxy-3-formyl quinoline with appropriately substituted 2-hydroxy acetophenones. All compounds are assayed for their binding in the active sites of Plasmodium falciparum lactate dehydrogenase (pfLDH) enzyme. The quinoline chalcone derivatives showed negative binding energies promising potent pfLDH inhibitory activity. Compounds showing the highest negative binding scores have been studied for their in vitro antimalarial activity against cultured Plasmodium falciparum 3D7 strain. The compounds 2c and 2u have completely inhibited the maturation of parasites at MIC 10 µg/mL and above whereas 3b inhibited 95% maturation of parasites at MIC 50 µg/mL. Additional efforts are being directed towards elaborating these leads towards the discovery and development of new quinolinyl heterocycles as anti-malarial agents. </smarttagtype

Twelve-month observational study of children with cancer in 41 countries during the COVID-19 pandemic

Childhood cancer is a leading cause of death. It is unclear whether the COVID-19 pandemic has impacted childhood cancer mortality. In this study, we aimed to establish all-cause mortality rates for childhood cancers during the COVID-19 pandemic and determine the factors associated with mortality