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Exploring antiviral potency of N-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular dynamics and biological activity

Ritika Srivastava, S. K. Das Gupta, Farha Naaz, Parth Sarthi Sen Gupta, Madhu Yadav, Vishal Singh, Saroj Kumar Panda, Satyaranjan Biswal, Malay Kumar Rana, Gupta Sk, Dominique Schols, Ramendra K. Singh, Ramendra K. Singh

2023Computational Biology and Chemistry13 citationsDOIOpen Access PDF

Topics & Concepts

NevirapineDocking (animal)ChemistryStereochemistryLead compoundPyrimidineHuman immunodeficiency virus (HIV)MoleculeMolecular dynamicsIC50DNAReverse transcriptaseIn vitroCombinatorial chemistryRNAVirologyBiochemistryBiologyComputational chemistryOrganic chemistryViral loadGeneAntiretroviral therapyMedicineNursingHIV/AIDS drug development and treatmentHIV Research and TreatmentComputational Drug Discovery Methods
Exploring antiviral potency of N-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular dynamics and biological activity | Litcius