id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-344598-5drr3fyt	Khanna, Leena	Spiro‐Indole‐Coumarin Hybrids: Synthesis, ADME, DFT, NBO Studies and In Silico Screening through Molecular Docking on DNA G‐Quadruplex	2020-03-19		.txt	text/plain	3901	264	56	Thus, in the present study, the biological importance of 22 compounds including six new spiro indole-coumarin hybrids as DNA quadruplex groove binders has been evaluated by performing molecular docking studies on DNA G-quadruplexes of the human genome. Finally, Density Functional Theory (DFT) calculations, NBO analysis, and MEP plots are drawn for hybrids to prove their chemical reactivity and stability. 1 H NMR spectrum showed the presence of methylene of thiazolidine as two doublets at δ 4.37 and δ 4.05 besides the usual aromatic protons of indole, indazole and coumarin moieties. Table 1 also shows all six newly synthesized spiro indolecoumarin hybrids 10 a-c and 12 a-c are having high binding energy as compared to intermediary Schiff bases, isatin, their non-hybrid counterparts and the reference compounds. Binding interaction of about 22 compounds including these hybrids with DNA G-quadruplex of the human genome, was screened using Molecular docking studies.	./cache/cord-344598-5drr3fyt.txt	./txt/cord-344598-5drr3fyt.txt