Molecular modeling of cornulin (CRNN) for docking with phytocompounds from Justicia adhatoda L

Jayaraman Selvaraj; Shazia Fathima Jh; Venkatacalam Sivabalan; Umapathy Vidhya Rekha; Rajagopal Ponnulakshmi; Veeraraghavan Vishnupriya; Malathi Kullappan; Radhika Nalinakumari Sreekandan; Surapaneni Krishna Mohan; Periyasamy Vijayalakshmi

doi:10.6026/97320630017200

Molecular modeling of cornulin (CRNN) for docking with phytocompounds from Justicia adhatoda L

Bioinformation. 2021 Jan 31;17(1):200-205. doi: 10.6026/97320630017200. eCollection 2021.

Affiliations

¹ Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India.
² Department of Oral and Maxillofacial Pathology, Ragas Dental College and Hospitals, Chennai, India.
³ Department of Biochemistry, KSR Institute of Dental Sciences and Research, Thiruchengodu-637215, India.
⁴ Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India.
⁵ Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be University), Chennai-600 078, India.
⁶ Department of Research, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
⁷ Department of Clinical Skills & Simulation, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India.
⁸ Department of Biochemistry and Department of Clinical Skills & Simulation, Department of Research, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123.

Abstract

Cornulin (CRNN) is linked with tumour progression. Therefore, it is of interest to document data on the molecular modeling of cornulin (CRNN) for docking with phytocompounds (Pyrazinamide, Anisotine, Vasicinone, Vasicoline) from Justicia adhatoda L. Thus, we document the optimal binding features of these compounds with the cornulin model for further consideration.

Keywords: Oral Squamous Cell Carcinoma; cornulin; molecular docking; molecular modeling.