Aims: The aim of the study is to extract antimicrobial compounds from dragon fruit peel and analyze its activity using in vitro and in silico techniques to produce a potential therapeutic agent for diseases like food poisoning.
Study Design: In vitro
studies followed by the analysis using in
vitro techniques like docking and molecular dynamic simulation.
Place and Duration of Study: Department of Biotechnology,
(S8-group 15) Final year biotechnology students of Sahrdaya College of
Engineering and Technology, Kodakara, Thrissur, Kerala, India, between March
2023 and May 2024.
Methodology: Extraction of bioactive compounds was performed.
Antimicrobial activities were analyzed using well diffusion techniques and the
result was mainly observed for Bacillus
cereus. The proteins and active sites of bacteria were used for docking
against the ligands or compounds present in the extracted solution of dragon
fruit peel, and the results were analyzed. Also, molecular dynamic simulation
and toxicity prediction were performed and using the results obtained a new
product with medicinal value is proposed completely made or manufactured from a
waste product making this a sustainable idea.
Results: In vitro, the antimicrobial activity of the crude extract
was analysed by using the agar well diffusion method. Bacillus cereus shows more inhibition towards the extract. Target
active sites and ligands are listed for molecular docking and the complex with
highest binding energy is screened using SwissADME and from the results obtained
molecular dynamic simulation is performed.
Conclusion: This work shows the antimicrobial activity of the
compounds present in dragon fruit peels against Bacillus cereus, a foodborne pathogen. After molecular docking,
SwissADME and molecular dynamic simulation, the interactions, affinity, and
stability of the ligand target complexes are known, which leads to the
development of innovative healthcare solutions.
Author
(s) Details
Treesa Linson
Department of Biotechnology, SCET, Sahrdaya College of Engineering and
Technology (Autonomous), Affiliated to A P J Abdul Kalam, Technological
University, Kerala, India.
Ashly Varghese
Department of Biotechnology, SCET, Sahrdaya College of Engineering and
Technology (Autonomous), Affiliated to A P J Abdul Kalam, Technological
University, Kerala, India
Janet T Tony
Department of Biotechnology, SCET, Sahrdaya College of Engineering and
Technology (Autonomous), Affiliated to A P J Abdul Kalam, Technological
University, Kerala, India.
Nirmal N B
Department of Biotechnology, SCET, Sahrdaya College of Engineering and
Technology (Autonomous), Affiliated to A P J Abdul Kalam, Technological
University, Kerala, India.
Amitha Joy
Department of Biotechnology, SCET, Sahrdaya College of Engineering and Technology
(Autonomous), Affiliated to A P J Abdul Kalam, Technological University,
Kerala, India.
Please see the book here:- https://doi.org/10.9734/bpi/mono/978-93-49238-47-3/CH7
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