Synthesis, QTAIM, anticancer activity analysis of pyrrole-imidazole/benzimidazole derivatives and investigation of their reactivity properties using DFT calculations and molecular docking
Anant Ram, Poonam Rawat, Sharda Pandey, Anupama Pandey, Anshu Gautam, Shipra Gautam, Prakash, Amul Darwari, Alok Ranjan, Pashupati Nath Shukla, Poonam C. Singh, Saurabh Kumar, Shama Parveen, Monisha Banerjee, Monisha Banerjee, R.N. Singh
Topics & Concepts
ChemistryImidazolePyrroleBenzimidazoleIntermolecular forceComputational chemistryHydrogen bondReactivity (psychology)DimerProton NMRMoleculeChemical shiftStereochemistryOrganic chemistryPhysical chemistryAlternative medicineMedicinePathologySynthesis and biological activityNonlinear Optical Materials ResearchMolecular spectroscopy and chirality