Synthesis, DFT and Molecular docking studies in search of antimicrobial activity of (E)-4-((2-carbamothioylhydrazineylidene) methyl) benzoic acid
Sakshi Gupta, Sandhya Savita, Ajay Prakash, Tahmeena Khan, Satya Satya, Kulsum Hashmi, Seema Joshi
Topics & Concepts
ChemistryBenzoic acidAntimicrobialDocking (animal)Ligand (biochemistry)MoleculeDensity functional theoryStereochemistryProton NMRCarbon-13 NMRAntibacterial activityCombinatorial chemistryComputational chemistryOrganic chemistryBiochemistryBacteriaReceptorNursingMedicineBiologyGeneticsSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsComputational Drug Discovery Methods