Image of Simulation of Molecular Dynamic D-alanyl-d-alanine- Carboxypeptidase From Homology Modeling

Karya Ilmiah Mahasiswa

Simulation of Molecular Dynamic D-alanyl-d-alanine- Carboxypeptidase From Homology Modeling



Uncontrolled bacterial growth will be very detrimental so that
antibacterials are needed to control bacterial growth. One of the natural
compounds that has potential as antibacterial is 1,5-bis- (3'- ethoxy4'hydroxyphenyl)

-1,4-pentadiene-3-one (EHP), a curcumin analogue
compound that has been synthesized using the aldol condensation
method. The purpose of this study is to determine the 1,5-bis- (3'-
ethoxy-4'hydroxyphenyl) -1,4-pentadiene-3-one (EHP) against the
target protein (D-Alanyl-D-Alanine-Carboxypeptidase) from the
results of homology and stability testing of the protein ligand complex
in the formm of rigid and flexible (Moleculae Dinamic). The software
used in this research is SwissModel, I-Tasser, Modeller, Molegro
Virtual Docker, Discovery Studio, Gromacs. Based on the results of
molecular dynamics simulations, it is obtained that the rerank score is
lower than the docking rerank score, so it is concluded that the
molecular dynamics simulation on D-Alanyl-D-AlanineCarboxypeptidase
is
more
stable than
molecular
docking.


Ketersediaan

FFESKF201929FFESKF201929Perpustakaan Fakultas FarmasiB A C A
D I T E M P A T

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Judul Seri
-
No. Panggil
FFESKF201929
Penerbit Fakultas Farmasi Universitas Pancasila: Jakarta.,
Deskripsi Fisik
-
Bahasa
Indonesia
ISBN/ISSN/NPM
2015210031
Klasifikasi
NONE
Tipe Isi
-
Tipe Media
-
Tipe Pembawa
-
Edisi
-
Subyek
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