2D-QSAR and Molecular Docking based virtual screening of the herbal molecules against Alzheimers Disorder: An approach to predict CNS activity
Aman Thakur, Arun Parashar, Vivek Sharma, Ajay Kumar, Vineet Mehta
The paper develops a 2D-QSAR model to predict AChE inhibitory activity and BBB penetration of herbal molecules for Alzheimer's treatment, identifying amentoflavone as the most promising candidate.
bioRxiv · Oct 8, 2022 · PreprintBioinformatics