I have designed 100 derivatives of indole and conducted molecular docking, MD simulation studies, ADMET analysis, and physicochemical analysis. Can this data be published as a research article? I would appreciate your suggestions on this matter.
Yes definitely. But my first question is that these 100 molecules were docked with which Target i.e. for which disease? You can also select a standard drug which is actually used for that disease or protein target. Then the docking and other studies will also perform with this reference or standard molecule. Finally, you can compare the results with this reference. If this will be done, the manuscript will be definitely accepted for publication.
I am giving you two such articles (me).
1. Computational insights into pediatric adenovirus inhibitors: in silico strategies for drug repurposing.
2. Repurposing of Existing Pharmaceutical Drugs Against Monkey-pox Virus: An In Silico Study.
Thank you for your suggestion kaushik Sarkar
I am working on epileptic activity.Can you suggest best protein target
Dear Dr. Punet Kumar , You can use network pharmacological analysis to get your target protein.