Molecular docking analysis of phytocompounds from Andrographis paniculata binding with proteins in the notch-signaling pathway

Sumetha Suga Deiva Suga; Surapaneni Krishna Mohan; Radhika Nalinakumari Sreekandan; Malathi K; Devakumar Kamaraj; Vishnu Priya Veeraraghavan; Selvaraj Jayaraman; Ponnulakshmi Rajagopal

doi:10.6026/97320630016923

Molecular docking analysis of phytocompounds from Andrographis paniculata binding with proteins in the notch-signaling pathway

Bioinformation. 2020 Nov 30;16(11):923-928. doi: 10.6026/97320630016923. eCollection 2020.

Authors

Sumetha Suga Deiva Suga¹, Surapaneni Krishna Mohan², Radhika Nalinakumari Sreekandan³, Malathi K⁴, Devakumar Kamaraj⁵, Vishnu Priya Veeraraghavan⁶, Selvaraj Jayaraman⁶, Ponnulakshmi Rajagopal⁷

Affiliations

¹ Department of Microbiology, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
² Department of Biochemistry and Department of Clinical Skills & Simulation, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
³ Department of Clinical Skills & Simulation, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
⁴ Department of Biochemistry and Department of Research, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
⁵ Department of Pharmacology, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
⁶ Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Velappanchavadi, Chennai-600 077, India.
⁷ Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be University), West K.K. Nagar, Chennai-600 078, India.

Abstract

It is of interest to document the molecular docking analysis of phytocompounds from Andrographis paniculata binding with protein NOTCH1 in the Notch-signaling pathway in the context of cancer. Hence, we document the binding features of neoandrographolide, 14-deoxyandrographolide, androgapholide and andrograpanin with proteins in the notch-signaling pathway for further consideration.

Keywords: Andrographis paniculata; Gastric Cancer; Molecular docking studies; Notch signaling pathway.