Title

Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors

Authors

Rajagopal Ponnulakshmi¹, Umapathy Vidhya Rekha², Ramakrishnan Padmini³, Srinivasan Perumal³, Radhakrishnan Saravanan⁴, Veeraraghavan Vishnupriya⁵, Periyasamy Vijayalakshmi⁶, Jayaraman Selvaraj^5,*

Affiliation

¹Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be University), Chennai-600 078, India; ²Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India; ³Department of Biochemistry, School of life science, Vels Institute of Science, Technology & Advanced Studies (VISTAS), Chennai-117, India; ⁴Department of Biochemistry, Karpaga Vinayaga Institute of Dental Sciences, Madhuranthagam, Chengalpattu District, Tamil Nadu, India; ⁵Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India; ⁶PG & Research Department of Biotechnology & Bioinformatics, Holy Cross College (Autonomous), Trichy-620002, Tamil Nadu, India

Email

Dr. Jayaraman Selvaraj - E-mail: jselvaendo@gmail.com; *Corresponding author

Article Type

Research Article

Date

Received February 22, 2020; Revised April 24, 2020; Accepted May 7, 2020; Published June 30, 2020

Lipocalin 2 (Lcn2, also called as neutrophil gelatinase-associated lipocalin) is a member of the lipocalin family and a known target for breast cancer. Therefore, it is of interest to use Docetaxel as a scaffold to design molecules with improved efficiency from naturally derived
phytochemicals. We document 10 analogues (4Deacetyltaxol, 7Acetyltaxol, Cabazitaxel, Cephalomannine, Docetaxal, Deacetyltaxol, Docetaxeltrihydrate, Ortataxel, Paclitaxel, Taxoline) having optimal binding with Lipocalin 2 in comparison with Docetaxel. This data is
highly useful for consideration in the design and development of drugs for breast cancer.

Keywords

Lipocalin 2, docetaxel, analogues, molecular docking

Citation

Ponnulakshmi et al. Bioinformation 16(6): 438-443 (2020)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.