In vitro cytotoxic evaluation of Hypericum perforatum and molecular docking and dynamic analysis of PINK-1 inhibitors on model organism Tribolium castaneum and Homo sapiens

Year 2024, Volume: 11 Issue: 4, 880 - 889, 12.10.2024

Fahriye Ercan , Serap Yalcin , Hatice Baş , Seda Yalçınkaya

https://doi.org/10.30910/turkjans.1440915

Abstract

Hypericum species are especially known for their pharmacological characteristic. One of the major component of the plant is hypericin that can be used in tumor inhibition with its potent cytotoxic effects. In this study, the anticancer effect of H. perforatum essential oil on the MCF-7 breast cancer cell line was examined, and the binding potential of the compounds of Hypericum perforatum L., hypericin, hyperoside and hyperforin, to the PINK1 protein of both human and model organism, Tribolium castaneum (Herbst) (Coleoptera: Tenebrionidae) was investigated in silico. Recently, many insect species have been proposed as model organisms, including T. castaneum, that the first species with whole genome sequenced. Worlwide distribution of insects, their environmental importance and realtively inexpensive cultivation have increased the interest in them Therefore, in in silico studies, T. castaneum was used as a model to compare binding similarities with humans and model organisms. In the study, the IC50 concentration of H. perforatum L. on MCF-7 cells was determined to be 98.765 μg/ml. Based on in silico findings, the most favorable binding affinity of -12.5 kcal/mol was observed between the Hypericin molecule and the insect PINK1 protein. The fact that these plant components bind with high energy to the PINK1 protein, which is believed to guard cells from mitochondrial dysfunction triggered by stress, is promising for the development of plant-based medical drugs and biopesticides.

Keywords

Hypericum perforatum, Tribolium castaneum, anticancer effect, in silico, PINK1

Hypericum perforatum'un in vitro sitotoksik değerlendirmesi ve model organizma Tribolium castaneum ve Homo sapiens üzerindeki PINK-1 inhibitörlerinin moleküler kenetleme ve dinamik analizi

Abstract

Hypericum türleri özellikle farmakolojik özellikleriyle bilinmektedir. Bitkinin ana bileşenlerinden biri, güçlü sitotoksik etkileriyle tümör inhibisyonunda kullanılabilen hiperisindir. Bu çalışmada, bu önemli bitki uçucu yağının MCF-7 meme kanseri hücre hattı üzerindeki antikanser etkisi incelenmiş ve H. perforatum L'un bileşikleri olan hiperisin, hiperosid ve hiperforinin hem insan hem de model organizma, Tribolium castaneum'un (Herbst) (Coleoptera: Tenebrionidae) PINK1 proteinine bağlanma potansiyeli in silico olarak araştırılmıştır. Son zamanlarda, tam genom dizilimi yapılan ilk tür olan T. castaneum da dahil olmak üzere pek çok böcek türü model organizma olarak önerilmiştir. Böceklerin dünya çapındaki dağılımları, çevresel önemleri ve üretimlerinin nispeten ucuz olması onlara olan ilgiyi arttırmıştır. Bu nedenle, in silico çalışmalarda, insan ve model organizma ile bağlanma benzerliklerini karşılaştırmak amacıyla T. castaneum model olarak kullanılmıştır. Çalışmada H. perforatum’un MCF-7 hücrelerindeki IC50 konsantrasyonu 98.765 µg/ml olarak belirlenmiştir. In silico bulgularına göre, -12,5 kcal/mol ile en uygun bağlanma afinitesi Hiperisin molekülü ile böcek PINK1 proteini arasında gözlenmiştir. Söz konusu bitki bileşenlerinin hücreleri stres kaynaklı mitokondriyal fonksiyon bozukluğundan koruduğu düşünülen PINK1 proteinine yüksek enerji ile bağlanıyor olması bitkisel orijinli tıbbi ilaçların ve biyopestisitlerin geliştirlmesi için umut vericidir.

Keywords

Hypericum perforatum, Tribolium castaneum, antikanser etki, in silico, PINK1

Supporting Institution

Kırşehir Ahi Evran Üniversitesi

Thanks

This study was financially supported by the Kırşehir Ahi Evran University Research Fund (Project No: ZRT.A4.19.001).

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