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- W3202066512 abstract "In the present study, a novel series of (2-methyl-1,1-bis-alkyl/aryl dithiocarbamate telluracyclopentane) &(2-methyl-1-Iodo-1-alkyl/aryldithiocarbamate tellura cyclopentane) were synthesised using precursor 2-methyl-1,1-diiodo telluracyclopentane and characterised by IR-, 1HNMR-, 13CNMR-, UV- spectral studies, molar conductance and elemental analysis measurements. The synthesis, characterisation and antibacterial activity in vitro were all discussed. Docking tests were conducted in silico to determine the inhibitor's binding free energy within the molecule. . Autodock 4.2. binding energy, root mean square deviation and hydrogen bond association are all important characteristics to consider. The results show that the selected ligands have binding energies ranging from -4.31 kcal/mol to -8.06 kcal/mol for cyclooxygenase-2 and -3.66 kcal/mol to -6.14 Kcal/mol for alpha-haemolysin and their protein-ligand interactions are displayed using two software programmes, protein-ligand interaction profiler and Pymol." @default.
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- W3202066512 date "2021-08-25" @default.
- W3202066512 modified "2023-09-26" @default.
- W3202066512 title "Novel Dithiocarbamate Complexes of 2-Methyl-1, 1-Diiodo-1-Telluracyclopentane [C4H7(CH3)TeI2]: Synthesis, Spectroscopic Characterization, Antibacterial Assay and In Silico Molecular Docking Studies" @default.
- W3202066512 doi "https://doi.org/10.25303/259rjce6170" @default.
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