The Therapeutic Potential of Berberine and Resveratrol in Type 2 Diabetes Treatment: Pharmacokinetic and Bioactivity Properties, and Molecular Docking Analysis

Sümeyra Gültekin

doi:10.18016/ksutarimdoga.vi.1518465

TR EN

Berberin ve Resveratrolün Tip 2 Diyabet Tedavisindeki Terapötik Potansiyeli: Farmakokinetik ve Biyoyararlılık Özellikleri ile Moleküler Docking Analizi

Öz

Tip 2 diyabet (T2D), tipik olarak insülin direnci ile karakterize edilen ve vücudun insülini etkili bir şekilde kullanamadığı veya yeterli insülin üretemediği bir metabolik bozukluktur. T2D tedavisinde insülin, metformin ve sülfonilüreler yaygın olarak kullanılmaktadır. Mevcut tedavi seçeneklerinin sınırlamaları göz önüne alındığında, yeni ilaçların keşfinde yoğun çabalara ihtiyaç vardır. Berberin, antidiyabetik, anti-inflamatuvar ve antioksidan özelliklere sahiptir. Resveratrol, antioksidan ve anti-enflamatuvar özellikleri nedeniyle kapsamlı bir şekilde araştırılan bir başka doğal bileşiktir. Bu çalışmanın amacı, berberin ve resveratrolün ADIPOR1 (PDB-ID: 6ks1), ADIPOR2 (PDB-ID: 5lxg), TNF-α (PDB-ID: 7kpb), PTP1B (PDB-ID: 4i8n), GLUT1 (PDB-ID: 4pyp), IGF-IR (PDB-ID: 8eyr), IGF1 (PDB-ID: 6pyh), ADAMTS9 (PDB-ID: 3ppv) ve SPHK2 (PDB ID: 4v24) dahil olmak üzere T2D ile ilişkili veya T2D'ye neden olan proteinlerle olan etkileşimlerini araştırmaktır. Berberin ve resveratrolün farmakokinetik özelliklerini değerlendirmek için SwissADME kullanılmıştır. Bu ligandlar ile belirtilen proteinler arasındaki etkileşimleri analiz etmek için moleküler yerleştirme yapılmıştır. Ayrıca, bileşiklerin potansiyel biyoyararlılık özellikleri belirlenmiştir. Protein-protein etkileşimleri STRING veri tabanından elde edilmiştir. Çalışma verileri, her iki bileşiğin de yüksek kan-beyin bariyeri (BBB) penetrasyonu ve gastrointestinal emilim yeteneğine (HIA) sahip olduğunu göstermiştir. Bunun yanında, berberin GLUT4 (-10.1 Kcal/mol), GLUT1 (-9.3 Kcal/mol) ve SPHK2 (-9.3 Kcal/mol) ile en yüksek bağlanma afinitesini gösterirken, resveratrol SPHK2 (-9.0 Kcal/mol) ve TNFR1 (-8.7 Kcal/mol) ile güçlü bağlanma göstermiştir. Tüm proteinler, -7 Kcal/mol'den daha yüksek bağlanma enerjileri sergilemiş, bu da berberin ve resveratrolün T2D için potansiyel ilaç adayları olarak umut verici olduğunu göstermektedir.

Anahtar Kelimeler

The Therapeutic Potential of Berberine and Resveratrol in Type 2 Diabetes Treatment: Pharmacokinetic and Bioactivity Properties, and Molecular Docking Analysis

Abstract

Type 2 diabetes (T2D), typically characterized by insulin resistance, is a metabolic disorder that occurs when the body cannot use insulin effectively or does not produce enough insulin. In the treatment of T2D, insulin, metformin, and sulfonylureas are commonly used. Given the limitations of current treatment options, there is a strong need for intensive efforts in the discovery of new drugs. Berberine exhibits antidiabetic effects and possesses anti-inflammatory and antioxidant properties. Resveratrol is another natural compound that has been extensively researched due to its antioxidant and anti-inflammatory characteristics. This study aimed to investigate the interactions between berberine and resveratrol with proteins related to or causing T2D, including ADIPOR1 (PDB-ID: 6ks1), ADIPOR2 (PDB-ID: 5lxg), TNF-α (PDB-ID: 7kpb), PTP1B (PDB-ID: 4i8n), GLUT1 (PDB-ID: 4pyp), IGF-IR (PDB-ID: 8eyr), IGF1 (PDB-ID: 6pyh), ADAMTS9 (PDB-ID: 3ppv), and SPHK2 (PDB ID: 4v24). SwissADME was used to assess the pharmacokinetic properties of berberine and resveratrol. Molecular docking was performed to analyze the interactions between these ligands and the specified proteins. Additionally, the potential bioactivity features of compounds were determined. Protein-protein interactions were obtained from the STRING database. The study data indicated that both compounds have high blood-brain barrier (BBB) penetration and gastrointestinal absorption ability (HIA). Besides, berberine exhibited the highest binding affinity with GLUT4 (-10.1 Kcal/mol), GLUT1 (-9.3 Kcal/mol), and SPHK2 (-9.3 Kcal/mol), while resveratrol showed strong binding with SPHK2 (-9.0 Kcal/mol) and TNF-α (-8.7 Kcal/mol) and. All proteins displayed binding energies of more than -7 Kcal/mol, suggesting that both berberine and resveratrol hold promise as potential drug candidates for T2D.

Keywords

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Details

Primary Language

English

Subjects

Pharmacology and Pharmaceutical Sciences (Other)

Journal Section

Research Article

Authors

Sümeyra Gültekin ^*
0000-0002-5811-8832
Türkiye

Early Pub Date

December 19, 2024

Publication Date

December 31, 2024

Submission Date

July 19, 2024

Acceptance Date

October 12, 2024

Published in Issue

Year 2024 Volume: 27 Number: Ek Sayı 2 (Suppl 2)

DOI

https://doi.org/10.18016/ksutarimdoga.vi.1518465

IZ

https://izlik.org/JA67DW47RB

Cite

RIS / Bibtex

APA

Gültekin, S. (2024). The Therapeutic Potential of Berberine and Resveratrol in Type 2 Diabetes Treatment: Pharmacokinetic and Bioactivity Properties, and Molecular Docking Analysis. Kahramanmaraş Sütçü İmam Üniversitesi Tarım Ve Doğa Dergisi, 27(Ek Sayı 2 (Suppl 2), 333-350. https://doi.org/10.18016/ksutarimdoga.vi.1518465

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Kahramanmaraş Sütçü İmam Üniversitesi Tarım ve Doğa Dergisi

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