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Target prediction of compounds on jamu formula using nearest profile method Nur Hilal A Syahrir; Sumarheni Sumarheni; Supri Bin Hj Amir; Hedi Kuswanto
Jurnal Matematika, Statistika dan Komputasi Vol. 17 No. 2 (2021): JANUARY 2021
Publisher : Department of Mathematics, Hasanuddin University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20956/jmsk.v17i2.11616

Abstract

Jamu is one of Indonesia's cultural heritage, which consists of several plants that have been practiced for centuries in Indonesian society to maintain health and treat diseases. One of the scientification efforts of Jamu to reveal its mechanism is to predict the target-protein of the active ingredients of the Jamu. In this study, the prediction of the target compound for Jamu was carried out using a supervised learning approach involving conventional medicinal compounds as training data. The method used in this study is the closest profile method adopted from the nearest neighbor algorithm. This method is implemented in drug compound data to construct a learning model. The AUC value for measuring performance of the three implemented models is 0.62 for the fixed compound model, 0.78 for the fixed target model, and 0.83 for the mixed model. The fixed compound model is then used to construct a prediction model on the herbal medicine data with an optimal threshold value of 0.91. The model produced 10 potential compounds in the herbal formula and its 44 unique protein targets. Even though it has many limitations in obtaining a good performance, the closest profile method can be used to predict the target of the herbal compound whose target is not yet known.
Efek Sinergis Bahan Aktif Tanaman Obat Berbasiskan Jejaring Dengan Protein Target Nur Hilal A. Syahrir; Farit Mochamad Afendi; Budi Susetyo
Jurnal Jamu Indonesia Vol. 1 No. 1 (2016): Jurnal Jamu Indonesia
Publisher : Pusat Studi Biofarmaka Tropika LPPM IPB; Tropical Biopharmaca Research Center - Bogor Agricultural University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1489.882 KB) | DOI: 10.29244/jji.v1i1.6

Abstract

Medicinal plants contain inherently active ingredients. Such ingredients are beneficial to prevent and cure diseases, as well as to perform specific biological functions. In contrast to synthetic drugs, which is based on one single chemicals, medicinal plants exert their beneficial effects through the additive or synergistic action of several chemical compounds. Those chemical compound act on single or multiple targets (multicomponent therapeutic) associated with a physiological process. Active ingredients combinations show a synergistic effect. This means that the combinational effect of several active ingredients is greater than that of individual one acting separately. A network target can be used to identify synergistic effects of plants active ingredients. The method of NIMS (Network target-based Identification of Multicomponent Synergy) is a computational approach to identify the potential synergistics effect of active ingredients. It also assessess synergistic strength of any active ingradients at the molecular level by synergy scores. We investigate these synergistic on a Jamu formula for diabetes mellitus type 2. The Jamu formula is composed of four medicinal plants, namely Tinospora crispa , Zingiber officinale, Momordica charantia, and Blumea balsamivera. Our work succesfully demonstrates that the highest synergy scores on medicinal plants synergy can be seen in pairs of several active ingredients in Zingiber officinale. On the other hand, the synergy of pairs of active ingredients in Momordica charantia and Zingiber officinale posseses a relatively high score. The same occurs in Tinospora crispa and Zingiber officinale.
TOTAL EDGE AND VERTEX IRREGULAR STRENGTH OF TWITTER NETWORK Edy Saputra Rusdi; Nur Hilal A. Syahrir
BAREKENG: Jurnal Ilmu Matematika dan Terapan Vol 16 No 1 (2022): BAREKENG: Jurnal Ilmu Matematika dan Terapan
Publisher : PATTIMURA UNIVERSITY

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (805.548 KB) | DOI: 10.30598/barekengvol16iss1pp091-098

Abstract

Twitter data can be converted into a graph where users can represent the vertices. Then the edges can be represented as relationships between users. This research focused on determining the total edge irregularity strength (tes) and the total vertices irregularity strength (tvs) of the Twitter network. The value could be determined by finding the greatest lower bound and the smallest upper bound. The lower bound was determined by using the properties, characteristics of the Twitter network graph along with the supporting theorems from previous studies, while the upper bound is determined through the construction of the total irregular labeling function on the Twitter network. The results in this study are the tes(TW)=18 and tvs(TW)=16.
AGGLOMERATIVE HIERARCHICAL CLUSTERING ANALYSIS IN PREDICTING ANTIBACTERIAL ACTIVITY OF COMPOUND BASED ON CHEMICAL STRUCTURE SIMILARITY Siswanto Siswanto; Nur Hilal A Syahrir
BAREKENG: Jurnal Ilmu Matematika dan Terapan Vol 16 No 4 (2022): BAREKENG: Journal of Mathematics and Its Applications
Publisher : PATTIMURA UNIVERSITY

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (490.231 KB) | DOI: 10.30598/barekengvol16iss4pp1441-1452

Abstract

Resistance to antibiotics is increasing to alarmingly high levels. As antibiotics are less effective, more infections are becoming more complex and often impossible to treat. Numerous antibiotics discovered in marine organisms show that the marine environment, which accounts for over half of the world's biodiversity, is a massive source for novel antibiotics and that this resource must be explored to identify next-generation antibiotics. This research aimed to predict antibacterial activity in marine compounds using a computational approach to reduce the cost and time of finding marine organisms, extracting, and testing numerous unknown marine compounds' bioactivities. We used a simple unsupervised learning approach to predict the biological activity of marine compounds using agglomerative hierarchical clustering. We mixed antibiotic drug data in DrugBank Database and chemical compound data from marine organisms in literature to compile our dataset. We applied five linkage methods in our dataset and compared the best method by assessing internal validation measurement. We found that the Ward with squared dissimilarity matrix is the best method in the dataset, and ten compounds from 73 compounds of the marine compound are determined as potential marine compounds which have antibacterial activity.