Analisis Hubungan Kuantitatif Struktur Dan Aktivitas Senyawa Turunan Triazolopiperazin Amida Menggunakan Metode Semiempirik AM1

Anjar Purba Asmara, Mudasir Mudasir, Dwi Siswanta

Abstract


QSAR studies had done on derivatives of triazolopiperazine amide as inhibitors DPP IV enzyme that causes diabetes mellitus type 2. The studies had began by modeling the structures of the derivatives of triazolopiperazine amide and calcutating the descriptors of QSAR by semiempirical AM1 method which available on HyperchemÒprogram. QSAR analysis had done by multilinear regression method analysis which is available on SPSSÒ program using electronic and molecular parameters. The best QSAR equation model for method of semiempirical AM1:

-log IC50 =  152.252 + (18,.295*qC1) + (2.343*qC5) + (2263.448*qC9) +  (1662.252*qC10) – (350.806*qC15) + (639.687*qO25)+ (6.515*EH)


n = 18; r2 = 0.712; adjusted r2 = 0.510; Fhit/Ftab = 1.124; PRESS = 0.006 The main side of the compound can be determined through the equation. It can be used to study in preventing the disease of DM2 by inhibiting of enzyme DPP IV.


Keywords


HKSA, triazolopiperazine amide, enzyme DPP IV, semiempirical AM1

Full Text:

PDF


DOI: http://dx.doi.org/10.22373/ekw.v1i2.525

Refbacks

  • There are currently no refbacks.


Copyright (c) 2018 Elkawnie

Creative Commons License
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

ELKAWNIE

Creative Commons License

 

This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

© Elkawnie : Journal of Islamic Science and Technology 2019. Published by Faculty of Science and Technology in cooperation with Center for Research and Community Service (LP2M), UIN Ar-Raniry Banda Aceh, Aceh, Indonesia.

View full page view stats report here

Flag Counter