In silico evaluation of phytocompounds from Indian medicinal plants for Canine Mammary Tumours

Abstract

Canine mammary tumours are among the most predominant neoplasms and happen all the more usually among unblemished females which are not spayed at an early age. The previous study carried out at Madras Veterinary College reported that out of the 14,326 clinical cases presented in an eight months study, 61 cases were mammary tumours. The current study was aimed to screen chemo preventive effect of phytocompounds of Indian medicinal plants for Canine mammary tumours. Mammaglobin-B was taken as a target protein and it was modeled using I-Tasser. Around 920 phytocompounds were collected from different Indian medicinal plants using Dr. Duke’s database. In which, after checking Lipinski Rule of five, 132 compounds were selected for this study. The 3D structure of all the phytocompounds were retrieved from PubChem database. Docking studies were done using Discovery Studio 4.0. From the results, the phytocompounds Homocapsaicin (Libdcok score: 102.27), Homodihydrocapsaicin (Libdcok score: 101.55) and Isositsirikine (Libdcok score: 99.19) showed the best Libdcok score. Hence, the present study was concluded that the phytocompounds Homocapsaicin and Homodihydrocapsaicin from Capsicum annuum and Isositsirikine from Catharanthus roseus had potential effect against Canine mammary tumours.