Quantitatif Structure-Activity Relationship Analysis of a Carbazole Analog Compounds as Antibacterial using Electronical Descriptors
ABSTRACT: The Quantitatif
Structure-Activity Relationship (QSAR) study has been established on 13
Carbazole analog compounds to their antibacterial activity using electronical
descriptors. The development of computational chemistry, in particular quantum
chemical calculation progression, has made the possibility of molecule modeling
and pharmacochemistry exploration of molecule structures. This emerging
semiempirical method can be implemented in QSAR using Hansch model. A research
associated with QSAR antibacterial activity of Carbazole analog compounds which
used semiempirical AM1 (Austin Model 1) method has been conducted. The
geometrical optimation of 2D into 3D structures was done utilizing HyperChem
program with the Polak – Ribiere algorithm. Results revealed that atom in the
position C8, C9, C10 and C12 are necessary to predict biological activity of
Carbazoleanalog.
Penulis: Islamudin Ahmad
Kode Jurnal: jpfarmasidd140420
