ACADSTAFF UGM

CREATION
Title : DESAIN SENYAWA TURUNAN KARBAMAT SEBAGAI INSEKTISIDA BARU MENGGUNAKAN METODE IN SILICO
Author :

Agus Dwi Ananto (1) Prof. Drs. Mudasir, M.Eng., Ph.D. (2) Dr.rer.nat. Ria Armunanto, S.Si, M.Si. (3)

Date : 2017
Keyword : QSAR, insecticides carbamate, PM3. QSAR, insecticides carbamate, PM3.
Abstract : Linear equation of QSAR model of insecticidal activity of carbamate derivatives based on atomic charge and hydrofobic, electronic and steric descriptors has been investigated. The descriptors were calculated by semiempirical PM3 method and biological activities of the compound were taken from experiment. The relationship between descriptors and their biological activities was analyzed with multilinear regression analysis. The best linier equation resulted from that analysis is : Log 1/LD 50 = 12,651 + (2,467 qC2) + (2,832 qC4) - (14,089 qC6) - (0,24 qO7) + (0,293 ?) - (0,08 SA (grid)) +(0,041 V)+ (0,141 EH) - (0,303 log P) n = 39 ; r = 0,839 ; adjusted r2 = 0,612 ; SE = 0,355; Fhit/Ftable = 3,443 PRESS=5,188 Based on that model, a new carbamate derivative has been designed which show better predicted activity (log 1/LD50 = 9,79) while the old one (log 1/ LD50 = 8,81). This new carbamate insecticide derivative can be synthesized laboratoriccally for the next prove.
Group of Knowledge : Kimia
Original Language : Bahasa Indonesia
Level : Nasional
Status :
Published
Document
No Title Document Type Action
1 1527-5478-1-PB.pdf
Document Type :
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