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Naphtho[2,1-b]furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: Synthesis, DFT calculations, drug-likeness profile, molecular docking and dynamic studies

D.L. Roopa, K. Shyamsunder, Prashantha Karunakar, Jothi Ramalingam Rajabathar, A. Venkatesulu, Muthusamy Karnan, K.S. Kiran, Manickam Selvaraj, S. M. Basavarajaiah

2023Journal of Molecular Structure33 citationsDOI

Topics & Concepts

ChemistryDocking (animal)INHAStereochemistryTriazoleMoleculeProtein Data Bank (RCSB PDB)Active siteEnzymeCombinatorial chemistryOrganic chemistryTuberculosisNursingMedicinePathologyIsoniazidSynthesis and biological activityComputational Drug Discovery MethodsMulticomponent Synthesis of Heterocycles
Naphtho[2,1-b]furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: Synthesis, DFT calculations, drug-likeness profile, molecular docking and dynamic studies | Litcius