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In silico study of lutein as anti-HER-2 receptors in breast cancer treatment Cahyani, Ni Ketut Nitya; Putri, Wahyu Nadi Eka; Dwivayana, I Kadek Diva; Mirayanti, Ni Putu Dinda; Laksmiani, Ni Putu Linda
Pharmacy Reports Vol. 1 No. 1 (2021): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (426.851 KB) | DOI: 10.51511/pr.17

Abstract

Human Epidermal Receptor-2 (HER-2) overexpression is implicated in breast cancer progression; thus, HER-2 is widely used as the target of anticancer therapy. Lapatinib is a drug widely used to inhibit the HER-2 receptor and tyrosine kinase; however, it develops drug resistance. Lutein is promising to be developed as breast cancer therapy. This study aims to determine the mechanism of inhibition of HER-2 receptor overexpression by lutein in silico. Molecular docking was carried out by optimizing the lutein and lapatinib, preparing of protein target HER-2 (PDB ID 3PP0), validating of molecular docking protocol, and docking of lutein and lapatinib on HER-2. The study resulted in the binding energy of -12.37 kcal/mol, while the binding energy of the native ligand and lapatinib to HER-2 was -10.43 kcal/mol and -12.25 kcal/mol, respectively. The binding energy showed that lutein has potential as breast anticancer suggested from the stronger affinity to HER2.
IMPLEMENTATION OF IMAGE ANALYSIS FROM THIN LAYER CHROMATOGRAM OF PURPLE SWEET POTATO LEAF EXTRACT IN CHEMICAL FINGERPRINTING Mirayanti, Ni Putu Dinda; Yustiantara, Putu Sanna; Wirasuta, I Made Agus Gelgel
Journal Pharmaceutical Science and Application Vol 5 No 2 (2023): Journal Pharmaceutical Science and Application
Publisher : Departement of Pharmacy, Faculty of Mathematic and Natural Science, Udayana University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/JPSA.2023.v05.i02.p01

Abstract

Background: Purple sweet potato (Ipomoea batatas L.) is a crop that contains rich amounts of anthocyanins and flavonoids. For maintaining its quality in preparations, fingerprint analysis using Thin Layer Chromatography (TLC) is commonly used. Objective: In this study, image analysis was implemented on the chromatogram to develop fingerprint profiles of the leaves of various types of purple sweet potatoes. Methods: Fingerprint analysis and acquisition of data were carried out by combining modern TLC equipment with software for image analysis. The in-situ fingerprint analysis using WinCats was compared with the image analysis results obtained in this study. The chemometric technique, cluster analysis, was performed to measure their difference in terms of sample classification. Cluster analysis was carried out to confirm that the clusters formed from image analysis were the same as those from WinCats. Results: The results obtained were two dendrograms, both showing the formation of two clusters but with a different order of samples. This study concluded that the data obtained from image analysis using ImageJ software resulted in clustering with a similarity of 38.15%, while the data obtained from WinCats software resulted in classification with a similarity of 28.31%. Both methods had issues in determining the fingerprint profiles, as evidenced by the low level of similarity. Conclusion: These results indicate that image analysis has the potential to be implemented for fingerprint profile development. However, further analysis is needed to align the Rf values and confirm the compounds in the peaks.