Molecular Modeling and Simulation of Transketolase from Orthosiphon stamineus.
BACKGROUND
Orthosiphon stamineus is a traditional medicinal plant in Southeast Asia countries with various well-known pharmacological activities such as antidiabetic, diuretics and antitumor activities. Transketolase is one of the proteins identified in the leaves of the plant and transketolase is believed able to lower blood sugar level in human through non-pancreatic mechanism. In order to understand the protein behavioral properties, 3D model of transketolase and analysis of protein structure are of obvious interest.


METHODS
In the present study, 3D model of transketolase was constructed and its atomic characteristics revealed. Besides, molecular dynamic simulation of the protein at 310 K and 368 K deciphered transketolase may be a thermophilic protein as the structure does not distort even at elevated temperature. This study also used the protein at 310 K and 368 K resimulated back at 310 K environment.


RESULTS
The results revealed that the protein is stable at all condition which suggest that it has high capacity to adapt at different environment not only at high temperature but also from high temperature condition to low temperature where the structure remains unchanged while retaining protein function.


CONCLUSION
The thermostability properties of transketolase is beneficial for pharmaceutical industries as most of the drug making processes are at high temperature condition.
['Ng|Mei Ling|ML|', 'Rahmat|Zaidah Binti|ZB|', 'Bin Omar|Mohd Shahir Shamsir|MSS|']
D000595:Amino Acid Sequence D004795:Enzyme Stability D006358:Hot Temperature D056004:Molecular Dynamics Simulation D031342:Orthosiphon D010940:Plant Proteins D011487:Protein Conformation D016415:Sequence Alignment D014174:Transketolase
modeling Transketolase Orthosiphon stamineus molecular dynamics simulation flexibility thermostability.