<?xml version="1.0" encoding="UTF-8"?><Articles><Article><id>689</id><JournalTitle>COMPUTATIONAL INTERACTION STUDY OF NATURAL COMPOUNDS TO DEFEND SKIN DISEASES</JournalTitle><Abstract>Skin diseases are gaining much importance now a day as environmental changes, food habits, use of cosmetics etc 
have great impact on it. Medicinal plants contain a variety of phytochemicals that can be used as remedies against different 
diseases  and  infections.  Wrightia  tinctoria  (Dandapala)  is  a  perennial  tree  recognized  in  Ayurveda  for  its  potential  to  cure 
dermal disorders. However, the phytocompounds actually involved in the curing mechanism are not significantly described. In 
the present study, molecular docking analysis was performed to find out the effect of phytocompounds in  Wrightia  tinctoria, 
against  a chronic skin disease, Psoriasis and a vector-borne disease, Leishmaniasis. Trypanothione  reductase, a key enzyme in 
the metabolic pathway of  Leishmania  infantum  and  dihydrofolate  reductase, the altered expression of which cause psoriasis ; 
were  identified  as  target  proteins  in  the  study.  The  three  dimensional  structure  of  target  proteins  were  retrieved  (2JK6  and 
1DLS)  from PDB. Molecular structure of 33 phytocompounds in  Wrightia tinctoria  was retrieved  from PubChem database. 
Drug likeliness of active phytocompounds  was calculated  and docking studies  were carried out using Discovery Studio 4.0. 
The compounds  with  good interaction  were screened based on the  values of interaction energy such as  CDOCKER  energy, 
CDOCKER  interaction  energy,  hydrogen  bonding  and  binding  energy.  Anthranillic  acid  and  ferulic  acid  from  Wrightia 
tinctoria were identified as the best inhibitors for the target proteins involved in psoriasis and leishmaniasis</Abstract><Email>bic@kau.in</Email><articletype>Research</articletype><volume>6</volume><issue>11</issue><year>2015</year><keyword>Psoriasis,Leishmaniasis,Phytocompounds,Molecular Docking,Wrightia tinctoria</keyword><AUTHORS>Sangeetha P. Davis,Bincy Baby,Meenudas, Priyanka James,P.A.Nazeem</AUTHORS><afflication>Bioinformatics Centre, IT-BT Complex, College of Horticulture, Kerala Agricultural University, Vellanikkara P.O.,  Thrissur -680656, Kerala, India,Bioinformatics Centre, IT-BT Complex, College of Horticulture, Kerala Agricultural University, Vellanikkara P.O.,  Thrissur -680656, Kerala, India,Bioinformatics Centre, IT-BT Complex, College of Horticulture, Kerala Agricultural University, Vellanikkara P.O.,  Thrissur -680656, Kerala, India,Bioinformatics Centre, IT-BT Complex, College of Horticulture, Kerala Agricultural University, Vellanikkara P.O.,  Thrissur -680656, Kerala, India,Bioinformatics Centre, IT-BT Complex, College of Horticulture, Kerala Agricultural University, Vellanikkara P.O.,  Thrissur -680656, Kerala, India</afflication></Article></Articles>