Molecular docking data of piperine with Bax, Caspase 3, Cox 2 and Caspase 9

Chandrasekaran Kirubhanand; Jayaraman Selvaraj; Umapathy Vidhya Rekha; Veeraraghavan Vishnupriya; Devarajan Nalini; Surapaneni Krishna Mohan; Periyasamy Vijayalakshmi; Manikkam Rajalakshmi; Rajagopal Ponnulakshmi

doi:10.6026/97320630016458

Molecular docking data of piperine with Bax, Caspase 3, Cox 2 and Caspase 9

Bioinformation. 2020 Jun 30;16(6):458-461. doi: 10.6026/97320630016458. eCollection 2020.

Authors

Chandrasekaran Kirubhanand¹, Jayaraman Selvaraj², Umapathy Vidhya Rekha³, Veeraraghavan Vishnupriya², Devarajan Nalini⁴, Surapaneni Krishna Mohan⁵, Periyasamy Vijayalakshmi⁶, Manikkam Rajalakshmi⁶, Rajagopal Ponnulakshmi⁷

Affiliations

¹ Department of Anatomy, All India Institute of Medical Sciences, Nagpur, India.
² Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India.
³ Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India.
⁴ Central Research Laboratory, Meenakshmi Ammal Dental College, Meenakshi Academy of Higher Education and Research (Deemed to be University), Chennai-600 095, India.
⁵ Panimalar Medical College Hospital and Research Institute, Varadharajapuram, Poonamallee, Chennai-600 123, Tamil Nadu, India.
⁶ DBT-BIF Centre, PG and Research Department of Biotechnology and Bioinformatics, Holy Cross College (Autonomous), Trichy, Tamilnadu, 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

Several apoptotic signalling proteins such as Bax, Caspase 3, Cox 2 and Caspase 9 are known to be associated with colorectal cancer (CRC). It is of interest to study the interaction of these proteins with piperine a known drug candidate. We document the binding energy, hydrogen bond interaction and hydrophobic interaction between the piperine and apoptotic proteins for further consideration.

Keywords: Bax; Caspase 3; Caspase 9; Cox 2; Piperine; molecular docking.