Brazilein From Secang (Caesalpinia Sappan L.) As an Antiacne Agent Using in Silico Study

Abstract

Propionibacterium  acnes (P.  acnes)  caused  the  inflammatory  phase  of  acne.  The applied  of  longterm  antibiotics  to  eradicated  p.  Acne  caused  resistance,  organ  damage,  and immune  hypersensitivity.  Strategies  and  development  of  acne  treatment  should  be  pursued. Brazilain,  the  active  compound  of  secang  (Caesalpinia  sappan  L.).      have  been  proven  as  an anti-acne agent. This study aimed to  determined the affinity and mechanism of brazilein with protein as antiacne using molecular docking. In Chimera 1.10.1 (used for protein preparation of the proteins), Hyperchem 8 (use for optimization 3D structure of brazilein), and Autodock 4.2 programs  (use  for  molecular  docking).  The  binding  energy  value  and  hydrogen  bonds  were compared  with  the native  ligand.  The  binding  energy  values  between  endoglyceramidase, hyaluronate  lyase,  sialidases  and  autolysin  protein  with  brazilein  were  respectively -2,34; - 6,26; -7,81;  and -7.17  kcal/mol.  The  binding  energy  values  between  endoglyceramidase, hyaluronate lyase, sialidases and autolysin protein with native ligand were -0,59; -4,4; -7,81; - 4,53  kcal/mol.  That  binding  energy  indicates  that  brazilien  had  a  stronger  affinity  and  more stable than native ligand. Brazilein had an antiacne activity caused it can bind to the proteins. The mechanism of brazilein as antiacne by inhibited the protein and inhibited the progression of acne lesions.