Pi STACKING PADA N,N-DIETHYLCINNAMAMIDE TERHADAP HDAC INHIBITOR SECARA IN-SILICO

Edy PB Tjoa

Abstract


Abstrak

HDAC merupakan penentu dalam peristiwa epigenetic sehingga harus dihambat.Penghambat menggunakan molekul kecil,dengan memperhatikan jarak ikatandan posisi ikatan.Guna mendapatkan penghambat yang baik maka diharapkan molekulkecil tersebut mampu berikatan dengan membentuk formasi Pi stacking,sehinggaenergi yang terpakai menjadi kecil.Metoda yang digunakan adalah doking dengan autodok vina dengan grid.Hasil penelitian menunjukan ikatan pi stacking terbentuk antara molekul Dietilsinamamid dengan Arginin,Leisin dll.Sehingga dapat menjadi kandidat penghambatyang baik.Kesimpulan Dietilsinamamide dapat membentuk posisi Pi stacking dengan HDAC

 

Kata Kunci: Pi stacking, HDAC inhibitor, in-silico

 

Abstract

HDAC is a determinant in epigenetic events that should be blocked . Using a small molecule inhibitor , with due regard to the bond distances and bond positions . In order to get a good inhibitor it is expected that the small molecule is able to bind to the formation pi stacking , so that the energy that used to be small . The methods used are docking with Davina autodok the grid. The results showed the bond between molecules pi stacking terbentu Dietilsinamamid with Arginine, Leisin etc. So that can be a good candidate inhibitor. Conclusion Dietilsinamamide can form pi stacking position with HDAC

 

Keywords: Pi stacking , HDAC inhibitors , in-silico


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References


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