STUDI INTERAKSI IN SILICO SENYAWA TURUNAN 2,4-DIAMINOPIRIDO[2,3-d]PIRIMIDIN TERHADAP ENZIM DIHIDROFOLAT REDUKTASE BAKTERI DAN SEL MAMALIA

Arwianto, Debby (2013) STUDI INTERAKSI IN SILICO SENYAWA TURUNAN 2,4-DIAMINOPIRIDO[2,3-d]PIRIMIDIN TERHADAP ENZIM DIHIDROFOLAT REDUKTASE BAKTERI DAN SEL MAMALIA. Skripsi thesis, Universitas Setia Budi Surakarta.

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Abstract

DERIVED COMPOUNDS 2,4-DIAMINOPIRIDO [2,3-d] pyrimidine was reported to have dihidrofolat reductase enzyme inhibitory activity in bacteria and mammalian cells that give effect antimetabolite. STUDY THEIR INTERACTION IN COMPOUND 2,4-silico DIAMINOPIRIDO [2,3-d] pyrimidine against DHFR enzymes necessary to determine the affinity and interaction patterns between the above compounds with bacterial DHFR and DHFR mammalian cells. This study aims to determine the affinity and interaction patterns DERIVED COMPOUNDS 2,4-DIAMINOPIRIDO [2,3-d] pyrimidine against bacteria and mammalian cells. DERIVED COMPOUNDS 2,4-DIAMINOPIRIDO [2,3-d] pyrimidine geometry optimized using Hyperchem software then performed by way of target preparation, ligand preparation, docking method validation, and analysis of docking using AutoDock vina so we get to the target ligand interactions, free energy bonding, hydrogen bonding, and interaction patterns. Affinity of 2,4-DERIVED COMPOUNDS DIAMINOPIRIDO [2,3-d] pyrimidine higher bacteria than mammalian cells. Interaction pattern seen in sixteen 2.4-DERIVED COMPOUNDS DIAMINOPIRIDO [2,3-d] pyrimidine with bacterial DHFR enzyme showed hydrogen bonding with amino acids and DHFR Asp31A mammalian cells indicate hydrogen bonds with amino acids and Val115A Glu30A. Keywords: DHFR bacteria and mammalian cells, Hyperchem, PyRx, Interaction Studies

Item Type: Thesis (Skripsi)
Uncontrolled Keywords: DHFR bacteria and mammalian cells, Hyperchem, PyRx, Interaction Studies
Subjects: Q Science > QD Chemistry
R Medicine > RS Pharmacy and materia medica
Depositing User: magdalena kartika ningsih
Date Deposited: 21 Feb 2020 03:12
Last Modified: 21 Feb 2020 03:12
URI: http://repository.setiabudi.ac.id/id/eprint/2921

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