Comparative <i>in vitro</i> cytotoxicity and binding investigation of artemisinin and its biogenetic precursors with ctDNA
Neha Maurya, Khalid Imtiyaz, M. Moshahid A. Rizvi, Khaled Mohamed Khedher, Prashant Singh, Rajan Patel
Abstract
were calculated, which showed the involvement of hydrogen bonds and van der Waals interactions for drug-ctDNA interaction. FTIR and molecular docking results suggested that ART, AA, and DHAA were bound to the A-T rich region in the minor groove of ctDNA.
Topics & Concepts
ArtemisininCytotoxicityIn vitroChemistryStereochemistryCombinatorial chemistryBiologyBiochemistryPlasmodium falciparumImmunologyMalariaHIV/AIDS drug development and treatmentBiochemical and Molecular ResearchComputational Drug Discovery Methods