MOLECULAR DOCKING, SYNTHESIS, CHARACTERISATION AND IN VITRO ANTI-FUNGAL EVALUATION OF SOME NOVEL DERIVATIVES OF 6-CHLORO-9-(3-CHLORO-4-FLUOROPHENYL)-9H-PURIN-2-AMINE

Vijaya Kumar P.*, Yadati Narasimha Spoorthy and L. K. Rvindranath

ABSTRACT

4, 6-dichloropyrimidine-2,5-diamine hydro chloride on treatment with 3-chloro-4-fluoro aniline in presence of alcohol results in the formation of 6-chloro-N4-(3-chloro-4-fluorophenyl) pyrimidine-2, 4, 5-triamine (1). The latter on reaction with Tri ethyl ortho formate in presence of acid form 6-chloro-9-(3-chloro-4-fluorophenyl)-9H-purin-2-amine (2).A new series of derivatives were synthesized from 6-chloro-9-(3-chloro-4-fluorophenyl)-9H-purin-2-amine. The structures of these analogues have been established by 1H NMR, IR and Mass spectral data. This study describes the anti-fungal activity of 6-chloro-9-(3-chloro-4-fluorophenyl)-9H-purin-2-amine analogues. The docking study results disclosed that few derivatives of 6-chloro-9-(3-chloro-4-fluorophenyl)-9H-purin-2-amine had outstanding anti-fungal activity which was superior to the activity of abacavir also.

Keywords: 6-chloro purine, ethanol amine, hydrazine hydrate,6-Alcoxy purines, benzyl amines, Anti-fungal activity.