Organotin compounds (OTCs) are pollutants that affect the reproduction of some marine organisms and can cause autoimmune diseases in humans. Most of the techniques used for detection and monitoring of OTCs in the environment have limitations due to several stages of sample pre-processing. Here, we demonstrated the use of the α-hemolysin (αHL) nanopore as an alternative platform for the detection of the cyhexatin and diphenyltin dichloride (DPhT) in aqueous systems. The detection process is based on the analysis of the residence times of each OTCs within the unitary nanopore, as well as, on the amplitudes of the blockages in the ionic current flowing through it. Cyhexatin and DPhT induced two and three patterns in the amplitude of the blockages in the ionic current, respectively. Residence time value of the cyhexatin inside the nanopore was higher than the value presented by the DPhT. Molecular docking was used to evaluate the interactions between OTCs and nanopore constriction, mainly identifying cation-π and hydrogen interactions. Classical atomistic molecular dynamic simulations confirm moderate aggregative behavior of these OTCs in solution in cationic form, especially for cyhexatin species. The nanopore detects OTCs at nanomolar level and it is possible to use this nanopore to monitor OTCs in aqueous systems. (OTCs humans preprocessing. preprocessing pre processing. processing pre-processing Here αhemolysin α hemolysin αHL (αHL (DPhT systems respectively constriction cationπ cation π form species

Abstract Cancer is a complex and multifactorial disease characterized by uncontrolled cell growth and is one of the main causes of death in the world. This work aimed to evaluate a small series of 10 different indole-thiosemicarbazone compounds as potential antitumor agents. This is a pioneering study. For this, the antioxidant and cytotoxic capacity against normal and tumor cells was evaluated. The results showed that the compounds were able to promote moderate to low antioxidant activity for the ABTS radical scavenging assay. ADMET in silico assays showed that the compounds exhibited good oral bioavailability. As for toxicity, they were able to promote low cytotoxicity against normal cells, in addition to not being hemolytic. The compounds showed promising in vitro antitumor activity against the T47D, MCF-7, Jurkat and DU-145 strains, not being able to inhibit the growth of the Hepg2 strain. Through this in vitro study, it can be concluded that the compounds are potential candidates for antitumor agents. world 1 indolethiosemicarbazone indole thiosemicarbazone agents study evaluated assay bioavailability toxicity hemolytic T47D TD T D MCF7, MCF7 MCF 7, 7 MCF-7 DU145 DU 145 DU-14 strains Hepg strain MCF- DU14 14 DU-1 DU1 DU-

Abstract Thiosemicarbazones are promising classes of compounds with antitumor activity. For this study, six 2,4-dihydroxy-benzylidene-thiosemicarbazones compounds were synthesized. These compounds were submitted to different assays in silico, in vitro and in vivo to evaluate the toxicological, antioxidant and antitumor effects. The in silico results were evaluated by the SwissADME and pkCSM platforms and showed that all compounds had good oral bioavailability profiles. The in vitro and in vivo toxicity assays showed that the compounds showed low cytotoxicity against different normal cells and did not promote hemolytic effects. The single dose acute toxicity test (2000 mg/kg) showed that none of the compounds were toxic to mice. In in vitro antioxidant activity assays, the compounds showed moderate to low activity, with PB17 standing out for the ABTS radical capture assay. The in vivo antioxidant activity highlighted the compounds 1, 6 and 8 that promoted a significant increase in the concentration of liver antioxidant enzymes. Finally, all compounds showed promising antitumor activity against different cell lines, especially MCF-7 and DU145 lines, in addition, they inhibited the growth of sarcoma 180 at concentrations lower than 50 mg/kg. These results showed that the evaluated compounds can be considered as potential antitumor agents. study 2,4dihydroxybenzylidenethiosemicarbazones 24dihydroxybenzylidenethiosemicarbazones dihydroxybenzylidenethiosemicarbazones 2,4 dihydroxy benzylidene thiosemicarbazones 2 4 synthesized toxicological effects profiles 2000 (200 mg/kg mgkg mg kg mice PB PB1 assay 1 enzymes Finally lines MCF7 MCF 7 MCF- DU DU14 addition 18 5 agents 4dihydroxybenzylidenethiosemicarbazones 24 2, 200 (20 DU1 20 (2 (

<p>Studies employing a single protein nanopore as a molecular recognition element in the development of analytical devices - biosensors, spectrometers, DNA sequencing - have increased considerably in the last decade. Several studies show the potential of these bionanostructures for future stochastic biosensing technology. Stochastic biosensing is an approach that relies on the observation of individual binding events between analyte molecules and a single receptor. This approach is inherent to the organisms that use a single protein nanopore as a key element to start, manage and maintain the chemical and biophysical processes of living cells. Here, we discuss alpha-toxin as a bacterial exotoxin and prototype of a protein nanopore in real-time detection and characterization of molecules in aqueous systems.</p>