PENGEMBANGAN METODE IN SILICO UNTUK KAJIAN AWAL KEAMANAN BAHAN TAMBAHAN PANGAN PADA RESEPTOR SEROTONIN
The development of new potential compounds as food additives is currently very rapid. However, these compounds must be safe for consumption and do not stimulate any biological activities in the body. Therefore, a rapid test method is needed to predict the safety of the compounds. A Safety evaluat...
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| Format: | Final Project |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/54528 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |
| Summary: | The development of new potential compounds as food additives is currently very rapid. However,
these compounds must be safe for consumption and do not stimulate any biological activities in
the body. Therefore, a rapid test method is needed to predict the safety of the compounds. A Safety
evaluation that can be developed is a study of the interactions between food additives and
receptors in the body. One of the important receptors in the body is serotonin, which works in
various physiological functions, such as in the cardiovascular and gastrointestinal systems. This
research conducted the development of in silico method including docking and molecular dynamics
simulations of food additives (flavoring agents, antioxidants, sweetener, preservatives, and food
coloring agents) against the 5?HT2B receptor (PDB ID: 5TVN), with references based on drugs that
are evidently known for their affinity and effectiveness againts the receptor. The results of docking
simulation are sorted and clustered, then the top 5 food additives from each category are selected
as samples for the molecular dynamics simulation. The evaluation of interaction stability of each
food additive againts the receptor was assessed based on molecular dynamics simulation. The
overall results revealed, 18 compounds were predicted to be potentially safe, while seven others
were predicted to be potentially unsafe. This evaluation method was validated using data from the
Joint FAO/WHO Expert Committee on Food Additives(JECFA). |
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