A series of substituted benzofuran derivatives were synthesized and characterized by spectral data. Some of the synthesized compounds were tested for in vitro antioxidant activity. Some of them have shown very good antioxidant activity. These compounds were also tested for antimicrobial activity against microbial strains viz. staphylococcus aureus (NCIM 5021) and salmonella typhimurium (NCIM 2501), but none of them showed any activity against these microorganisms.
A Claisen-Schimidt condensation of 2-hydroxyacetophenones 1a-f with an aldehyde 2 yielded a series of compounds 3a-f. Compounds 3a-f were transformed into series of substituted chromones 4a-f, pyrazolines 5a-f and aurones 6a-f on treatment with DMSO/ I 2 , NH 2 NH 2 / EtOH and Hg(OAc) 2 / pyridine respectively. All these novel compounds were characterized by spectral techniques. All the compounds were screened for their antibacterial potential.
Introduction: Compounds containing thiadiazole moiety are cognized to possess with variety of clinical and therapeutic activity. Finding a suitable drug target for newly synthesized compounds remain a major bottle neck in current high throughout medicinal chemistry era.
Aim:To effectively synthesize di substituted thiadiazole com pounds and demonstrate drug target identification using an in silico pharmacophore probing approach. Moreover, we also aim to validate the suitability of identified drug target.
Materials and Methods:A costeffective and environmental friendly chemical synthesis scheme for production of di substituted thiadiazole compounds was employed. Target identification was conducted by Pharmmapper software. Validation was accomplished by performing molecular docking and further Molecular Hydrophobic Potential (MHP) analysis.Results: Pharmacophore probing base approach identified hepatocyte growth factor receptor (cMet) as a suitable biological target for newly synthesized compounds. Binding free energy values indicate that compound 4b, 4e, 4g and 4h has tremendous potential to be further used as lead compound to design selective inhibitors of cMet receptor. MHP data from current study supports the possibility that hydrophobic contacts might act as major factor stabilizing thiadiazole cMet complex. Moreover, in silico observations of current study are in absolute accordance with previously described in vitro and crystallographic analysis.
Conclusion:We demonstrate that thiadiazole compounds synthesized in current investigation has high potential to act in modulation of hepatocyte growth factor receptor (cMet) activity and thereby act as putative therapeutic agent in cancer therapy.[Table/ Fig-1]: Schematic representation of methodology adopted in synthesis of novel thiadiazole derivatives in current study.
A series of novel fluorine containing pyrazole-pyrazolone (4a–j) and chromone-pyrazolone (5a–i) was synthesized from multifluorinated pyrazolone by the Knoevenagel condensation reaction. All compounds were synthesized by conventional heating as well as ultrasound irradiation technique. It was found that ultrasonication method was more efficient than conventional heating method. The newly synthesized compounds were subjected forin vitroantimicrobial screening against four bacterial pathogens, namely,Staphylococcus aureus, Streptococcus pyogenes, Escherichia coli,andPseudomonas aeruginosaand three fungal pathogensCandida albicans, Aspergillus niger,andAspergillus clavatus, using broth microdilution (MIC) method (CLSI guidelines). Among them, some compounds exhibited promising antibacterial activity against the tested strains. All synthesized compounds were characterized by IR,1H-NMR, mass, and elemental analysis.
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