β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study

Darlah Immaria Ulfa; Eko Suyanto; Turhadi Turhadi; Nia Kurnianingsih; Fatchiyah Fatchiyah

doi:10.12991/jrespharm.1630476

β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study

Abstract

Glaucoma causes permanent vision loss by damaging the optic nerve and retinal ganglion cells, increasing intraocular pressure, and involving toxic inflammatory factors that contribute to cell death and disease progression. Owing to the frequent adverse effects of current medicines, safer alternatives are required. Cherry fruit (Muntingia calabura L.) contains β-glucogallin, which has antioxidant and anti-inflammatory properties; however, the potential of β-glucogallin as a neurodegenerative inhibitor in glaucoma has not been thoroughly examined in in silico studies. The potential of β-glucogallin in inhibiting the signaling pathway of TNFR1, matrix metalloproteinase 9 (MMP9), and endothelin receptor B (ETRB) linked to neurodegenerative illnesses in glaucoma is investigated in this work. The Protein Data Bank database provided ETRB, TNFR1, and MMP9, whereas the PubChem database provided the β-glucogallin. PyRx was used for molecular docking, which was visualized using PyMOL and Biovia Discovery Studio. YASARA software was used for molecular dynamics simulations. According to the molecular prediction, β-glucogallin and drug control of ETRB, TNFR1, and MMP9 had comparable interactions and equivalent binding affinities. Residues of Asn158 and Trp336 were identified in the interaction between β-glucogallin and the drug control on ETRB, Ser74, Arg77, and Lys75 in the interaction on TNFR1, Val145, and Pro146 in the interaction on MMP9. According to the RMSD backbone, number of hydrogen bonds, and RMSF value, the protein was stable and the interaction between β-glucogallin and TNFR-1 and MMP9 was stable; these results demonstrate the potential of β-glucogallins from Muntingia calabura L. as neurodegenerative glaucoma inhibitors.

Keywords

References

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Details

Primary Language

English

Subjects

Pharmacology and Pharmaceutical Sciences (Other)

Journal Section

Research Article

Authors

Darlah Immaria Ulfa
0009-0003-4055-0314
Indonesia

Eko Suyanto
0000-0002-0748-4242
Indonesia

Turhadi Turhadi
0000-0003-4906-3769
Indonesia

Nia Kurnianingsih
0000-0003-4497-9487
Indonesia

Fatchiyah Fatchiyah ^*
0000-0001-6241-9665
Indonesia

Publication Date

January 11, 2026

Submission Date

January 31, 2025

Acceptance Date

March 13, 2025

Published in Issue

Year 2026 Volume: 30 Number: 1

DOI

https://doi.org/10.12991/jrespharm.1630476

IZ

https://izlik.org/JA23XE56DG

Cite

RIS / Bibtex

APA

Ulfa, D. I., Suyanto, E., Turhadi, T., Kurnianingsih, N., & Fatchiyah, F. (2026). β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study. Journal of Research in Pharmacy, 30(1), 13-27. https://doi.org/10.12991/jrespharm.1630476

AMA

1.Ulfa DI, Suyanto E, Turhadi T, Kurnianingsih N, Fatchiyah F. β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study. J. Res. Pharm. 2026;30(1):13-27. doi:10.12991/jrespharm.1630476

Chicago

Ulfa, Darlah Immaria, Eko Suyanto, Turhadi Turhadi, Nia Kurnianingsih, and Fatchiyah Fatchiyah. 2026. “β-Glucogallin from (Muntingia Calabura L.) As Glaucoma Inhibitor: An in Silico Study”. Journal of Research in Pharmacy 30 (1): 13-27. https://doi.org/10.12991/jrespharm.1630476.

EndNote

Ulfa DI, Suyanto E, Turhadi T, Kurnianingsih N, Fatchiyah F (January 1, 2026) β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study. Journal of Research in Pharmacy 30 1 13–27.

IEEE

[1]D. I. Ulfa, E. Suyanto, T. Turhadi, N. Kurnianingsih, and F. Fatchiyah, “β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study”, J. Res. Pharm., vol. 30, no. 1, pp. 13–27, Jan. 2026, doi: 10.12991/jrespharm.1630476.

ISNAD

Ulfa, Darlah Immaria - Suyanto, Eko - Turhadi, Turhadi - Kurnianingsih, Nia - Fatchiyah, Fatchiyah. “β-Glucogallin from (Muntingia Calabura L.) As Glaucoma Inhibitor: An in Silico Study”. Journal of Research in Pharmacy 30/1 (January 1, 2026): 13-27. https://doi.org/10.12991/jrespharm.1630476.

JAMA

1.Ulfa DI, Suyanto E, Turhadi T, Kurnianingsih N, Fatchiyah F. β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study. J. Res. Pharm. 2026;30:13–27.

MLA

Ulfa, Darlah Immaria, et al. “β-Glucogallin from (Muntingia Calabura L.) As Glaucoma Inhibitor: An in Silico Study”. Journal of Research in Pharmacy, vol. 30, no. 1, Jan. 2026, pp. 13-27, doi:10.12991/jrespharm.1630476.

Vancouver

1.Darlah Immaria Ulfa, Eko Suyanto, Turhadi Turhadi, Nia Kurnianingsih, Fatchiyah Fatchiyah. β-glucogallin from (Muntingia calabura L.) as glaucoma inhibitor: an in silico study. J. Res. Pharm. 2026 Jan. 1;30(1):13-27. doi:10.12991/jrespharm.1630476