Abstract
Terpenoids are major components present in herbal formulations of Ginkgo biloba which are considered to slow down progression of Alzheimer disease. Ginkgolide A, Ginkgolide B, Ginkgolide C, Ginkgolide M, Ginkgolide J, Ginkgolide K and Bilobalide are some of the terpenoids selected for computational theoretical calculations using DFT theory at B3LYP/6-311+G*(d,p) basic set level using Gaussian 16W. To study the interaction between selected terpenoids and selected proteins, molecular docking analysis is carried out using Argus Lab (4.0.1) and Auto Dock (4.2). Calculations are carried out on efficient shape-based search algorithm principle and a score base function to calculate the binding energies between them. ADMET analysis provide properties insight of terpenoids compounds. Results from calculated data reveal that there are possible interactions. This data can help in development of potent protein kinase inhibitor for the treatment of Alzheimer.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
More From: International Journal for Research in Applied Science and Engineering Technology
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.