Genomics & Informatics

  • 제19권4호
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  • Pages.46.1-46.11
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  • 2021
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  • 1598-866X(pISSN)
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  • 2234-0742(eISSN)
한국유전체학회 (Korea Genome Organization)
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Molecular docking of bioactive compounds derived from Moringa oleifera with p53 protein in the apoptosis pathway of oral squamous cell carcinoma

  • Rath, Sonali (Department of Medical Research Health Sciences, IMS and SUM Hospital, Siksha 'O' Anusandhan (Deemed to be) University) ;
  • Jagadeb, Manaswini (Department of Bioinformatics, Centre for Post Graduate Studies, Odisha University of Agriculture and Technology) ;
  • Bhuyan, Ruchi (Department of Medical Research Health Sciences, IMS and SUM Hospital, Siksha 'O' Anusandhan (Deemed to be) University)
  • 투고 : 2021.10.19
  • 심사 : 2021.11.16
  • 발행 : 2021.12.31
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초록

Moringa oleifera is nowadays raising as the most preferred medicinal plant, as every part of the moringa plant has potential bioactive compounds which can be used as herbal medicines. Some bioactive compounds of M. oleifera possess potential anti-cancer properties which interact with the apoptosis protein p53 in cancer cell lines of oral squamous cell carcinoma. This research work focuses on the interaction among the selected bioactive compounds derived from M. oleifera with targeted apoptosis protein p53 from the apoptosis pathway to check whether the bioactive compound will induce apoptosis after the mutation in p53. To check the toxicity and drug-likeness of the selected bioactive compound derived from M. oleifera based on Lipinski's Rule of Five. Detailed analysis of the 3D structure of apoptosis protein p53. To analyze protein's active site by CASTp 3.0 server. Molecular docking and binding affinity were analyzed between protein p53 with selected bioactive compounds in order to find the most potential inhibitor against the target. This study shows the docking between the potential bioactive compounds with targeted apoptosis protein p53. Quercetin was the most potential bioactive compound whereas kaempferol shows poor affinity towards the targeted p53 protein in the apoptosis pathway. Thus, the objective of this research can provide an insight prediction towards M. oleifera derived bioactive compounds and target apoptosis protein p53 in the structural analysis for compound isolation and in-vivo experiments on the cancer cell line.

키워드

과제정보

The authors are highly grateful to the Chairman of Siksha 'O' Anusandhan (Deemed to be) University, Prof. Manoj Ranjan Nayak for providing the support during the study. The authors are also thankful to the Dean, IMS and SUM Hospital, Siksha 'O' Anusandhan (Deemed to be) University, Prof. Gangadhar Sahoo for encouraging and supporting.

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