Twelve novel
compounds were designed and assessed through molecular docking, with scores
ranging from -6.12 to -8.80. The top three compounds 10, 11, and 12 showed the
highest Glide scores of -8.20, -8.45, and -8.80 were selected and synthesized.
The Novel N10- substituted acridones were synthesized via Ullmann
Condensation and cyclization followed by a Phase transfer catalysis and
Nucleophilic substitution reaction. The synthesized compounds were
characterized by NMR and Mass spectroscopy. DNA binding study was carried out
using the HPTLC method where binding affinity of a drug with DNA had been
identified. The percentage of the drug bind with CT-DNA for the Compound 10, 11
and 12 was 89.08, 90.76 and 97.18 respectively. The DNA binding
study indicated that the compounds 10, 11, and 12 showed good interactions with
CT-DNA. Among, compound 12 exhibiting high
affinity to CT-DNA with unbounded drug remained of 2.82%. These results
demonstrated the effectiveness of integrating molecular docking, and DNA binding
study to identify and develop promising therapeutic agents.
