In silico investigations on curcuminoids from Curcuma longa as positive regulators of the Wnt/β-catenin signaling pathway in wound healing
| Autor: | Humaira Binte Raihan, Riyan Al Islam Reshad, Fardin Zahid, S. M. Obaydur Rahman, Md. Hazrat Ali, Md. Ikram Rafid, Sayka Alam, Fatima Rahman, Sadman Omit, Kamrun Nahar Meem |
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| Rok vydání: | 2021 |
| Předmět: |
Medicine (General)
QH426-470 Pharmacology 03 medical and health sciences chemistry.chemical_compound R5-920 0302 clinical medicine Genetics Curcuma Curcuma longa Genetics (clinical) 030304 developmental biology ADME Curcuminoids (curcumin I Wnt/β-catenin 0303 health sciences biology Chemistry Wnt signaling pathway Biological activity biology.organism_classification Ligand (biochemistry) Casein kinase-1 (CK1) curcumin II and curcumin III) 030220 oncology & carcinogenesis Curcumin Glycogen synthase kinase-3β (GSK3B) Casein kinase 1 Wound healing |
| Zdroj: | Egyptian Journal of Medical Human Genetics, Vol 22, Iss 1, Pp 1-16 (2021) |
| ISSN: | 2090-2441 |
| Popis: | BackgroundCurcuma longa(Turmeric) is a traditionally used herb in wound healing. The efficacy of fresh turmeric paste to heal wounds has already been investigated in multiple ethnobotanical studies. Wnt/β-catenin signaling pathway plays a significant role in wound healing and injury repair processes which has been evident in different in vitro studies. This study aims to analyze the potentiality of curcuminoids (curcumin I, curcumin II and curcumin III) fromCurcuma longato bind and enhance the activity of two intracellular signaling proteins- casein kinase-1 (CK1) and glycogen synthase kinase-3β (GSK3B) involved in Wnt/β-catenin signaling pathway. This study is largely based on a computer-based molecular docking program which mimics the in vivo condition and works on a specific algorithm to interpret the binding affinity and poses of a ligand molecule to a receptor. Subsequently, drug likeness property, ADME/Toxicity profile, pharmacological activity, and site of metabolism of the curcuminoids were also analyzed.ResultsCurcumin I showed better affinity of binding with CK1 (− 10.31 Kcal/mol binding energy) and curcumin II showed better binding affinity (− 7.55 Kcal/mol binding energy) for GSK3B. All of the ligand molecules showed quite similar pharmacological properties.ConclusionCurcumin has anti-oxidant, anti-carcinogenic, anti-mutagenic, anti-coagulant, and anti-infective properties. Curcumin has also anti-inflammatory and wound healing properties. It hastens wound healing by acting on different stages of the natural wound healing process. In this study, three curcumins fromCurcuma longawere utilized in this experiment in a search for a drug to be used in wound healing and injury repair processes. Hopefully, this study will raise research interest among researchers. |
| Databáze: | OpenAIRE |
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