Proceedings of the 4th International Seminar on Science and Technology (ISST 2022)

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Graph Clustering Based on Chemical Similarity in Marine Compounds and Antibacterial Compounds

Authors
Edy Saputra Rusdi1, *, Nur Hilal A. Syahrir2, A. Muh. Amil Siddik1, Supri Bin Hj Amir1, Wahyudi Rusdi3
1Department of Mathematics, Faculty of Mathematical and Natural Sciences, Universitas Hasanuddin, Makassar, Indonesia
2Department of Statistics, Faculty of Mathematics and Natural Sciences, Universitas Sulawesi Barat, Sulawesi Barat, Indonesia
3Department of Sharia Economics, Faculty of Islamic Economics and Business, State Islamic Institute (IAIN) Sultan Amai Gorontalo, Gorontalo, Indonesia
*Corresponding author. Email: edy_saputra@sci.unhas.ac.id
Corresponding Author
Edy Saputra Rusdi
Available Online 22 August 2023.
DOI
10.2991/978-94-6463-228-6_37How to use a DOI?
Keywords
Antibacterial; BiClusO; Marine Compound
Abstract

Many potential medicines have been discovered from marine natural products (MNPs). It indicates that marine compounds are essential sources in drug development and discovery. Although many marine compounds show particular biological activity, few are recorded as antibacterial compounds. Therefore, finding the potential compound as an antibacterial compound from a marine organism is still challenging. The aim of this study is to utilize a computational approach to discover potential antibacterial compounds from marine resources. The study focuses on employing the BiClusO algorithm for clustering based on the chemical similarity between marine compounds and antibacterial compounds. The results show that the number of clusters formed for marine biota compounds with antibiotic drug compounds is 4. Then the compounds of marine biota with antibiotic compounds formed 7 clusters. Finally, from these clusters, we obtain compounds that are predicted to have similar properties to antibacterial drugs or compounds. From 73 marine compounds, only Sarasinoside J and (–)-Sarasinoside K are predicted as potent antibacterial compounds.

Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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Volume Title
Proceedings of the 4th International Seminar on Science and Technology (ISST 2022)
Series
Advances in Physics Research
Publication Date
22 August 2023
ISBN
10.2991/978-94-6463-228-6_37
ISSN
2352-541X
DOI
10.2991/978-94-6463-228-6_37How to use a DOI?
Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

Cite this article

risenwbib
TY  - CONF
AU  - Edy Saputra Rusdi
AU  - Nur Hilal A. Syahrir
AU  - A. Muh. Amil Siddik
AU  - Supri Bin Hj Amir
AU  - Wahyudi Rusdi
PY  - 2023
DA  - 2023/08/22
TI  - Graph Clustering Based on Chemical Similarity in Marine Compounds and Antibacterial Compounds
BT  - Proceedings of the 4th International Seminar on Science and Technology (ISST 2022)
PB  - Atlantis Press
SP  - 329
EP  - 338
SN  - 2352-541X
UR  - https://doi.org/10.2991/978-94-6463-228-6_37
DO  - 10.2991/978-94-6463-228-6_37
ID  - Rusdi2023
ER  -