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All Journal Indonesian Journal of Biotechnology Pharmacy Reports
Putra, Komang Dian Aditya
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Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology

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The potency of alpha-humulene as HER-2 inhibitor by molecular docking Putra, I Made Harimbawa; Pratama, I Putu Ari Anggara Catur; Putra, Komang Dian Aditya; Pradnyaswari, G. A. Desya; Laksmiani, Ni Putu Linda
Pharmacy Reports Vol. 2 No. 1 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (813.372 KB) | DOI: 10.51511/pr.19

Abstract

HER-2 overexpression is present in approximately 20% of breast cancer. This research aims to study the interactions of α-humulene to HER-2 protein by using in silico molecular docking. The experiment was carried out by HER-2 protein preparation (PDB ID 3PP0), docking validation, α-humulene optimization, and α-humulene docking. The results showed that α-humulene had binding energy of -7.50 kcal/mol, Van der Waals binding energy of -7.48 kcal/mol, and electrostatic energy of -0.02 kcal/mol. α-Humulene is potential as anti-breast cancer towards HER-2 in silico.
Decoding the role of tannic acid in wound healing: a dual‐action mechanism linking IL‐1β modulation and FGF‐driven tissue repair Swastini, Dewa Ayu; Nugroho, Agung Endro; Martien, Ronny; Fachiroh, Jajah; Khafi, Muhammad; Putra, Komang Dian Aditya
Indonesian Journal of Biotechnology Vol 31, No 1 (2026)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijbiotech.113925

Abstract

Tannic acid (TA) has been shown in a previous study to expedite cutaneous wound healing in rats; however, the precise mechanism by which it operates remains poorly understood. This research evaluates the effects of TA on wound healing using both in vitro and in silico methods. In vitro, its influence on the inflammatory cytokine interleukin‐1β (IL‐1β) and the growth factor fibroblast growth factor (FGF) throughout the healing process were assessed. In silico molecular docking was employed to predict direct ligand–protein interactions and to provide a mechanistic insight into whether these proteins represent primary molecular targets or downstream effects. Parameters evaluated included cell viability and proliferation, scratch assays, and the activity of pro‐inflammatory cytokines in the lipopolysaccharide (LPS)‐stimulated RAW 264.7 macrophage cell line, together with growth factors in the NIH 3T3 fibroblast cell line; all were evaluated using enzyme‐linked immunosorbent assay (ELISA). The results indicate that TA significantly facilitates wound closure by promoting NIH 3T3 fibroblast cell proliferation, enhancing FGF expression, and suppressing IL‐1ß synthesis in both in vitro and in silico approaches. These findings suggest that TA may hold considerable promise for wound‐healing management.
Co-Authors Agung Endro Nugroho Dewa Ayu Swastini Jajah Fachiroh, Jajah Khafi, Muhammad Ni Putu Linda Laksmiani Pradnyaswari, G. A. Desya Pratama, I Putu Ari Anggara Catur Putra, I Made Harimbawa Ronny Martien