Author(s)

Sohana Hossain¹, Bishajit Sarkar¹, Md. Nazmul Islam Prottoy¹, Yusha Araf², Masuma Afrin Taniya³, Md. Asad Ullah^1*

¹Department of Biotechnology and Genetic Engineering, Faculty of Biological Sciences, Jahangirnagar University, Dhaka, Bangladesh.
²Department of Genetic Engineering and Biotechnology, Faculty of Life Sciences, Shahjalal University of Science and Technology, Sylhet, Bangladesh.
³Department of Microbiology, School of Life Sciences, Independent University, Dhaka, Bangladesh.

This experiment has been carried out to observe the potential thrombolytic activity of naturally occuring phytochemicals in Ginger (Zingiber officinale) and to analyze their drug likeness property and ADME/T profile. Thrombolytic activity of Ginger has already been confirmed in laboratory experiment and this study focuses on the molecular interactions among four phytocompounds (Isovanillin, Gingerol, Beta-sitosterol and 2,6-Dimethyl-2-octene-1,8-diol) found in Ginger and Tissue Plasminogen Activator (tPA). Present experiment is largely based on computer-aided drug design protocol where the strength of interaction is described as binding energy function. Isovanillin exhibited better docking score, and so this compound might have greater thrombolytic activity than others. Moreover, Isovanillin also suggested sound drug likeness property and ADME/T profile which predicts its safeness for consumption in human body. But Beta-sitosterol violated Lipinski’s rule of five and 2, 6-Dimethyl-2-octene-1,8-diol showed the lowest affinity of binding with tPA. However, further in vivo or in vitro study may be required to confirm the thrombolytic activity of Isovanillin.

ADME/T, Ginger, Isovanillin, In Silico, Molecular Docking, Thrombolytic Activity

Hossain, S. , Sarkar, B. , Prottoy, M. , Araf, Y. , Taniya, M. and Ullah, M. (2019) Thrombolytic Activity, Drug Likeness Property and ADME/T Analysis of Isolated Phytochemicals from Ginger (Zingiber officinale) Using In Silico Approaches. Modern Research in Inflammation, 8, 29-43. doi: 10.4236/mri.2019.83003.