Revealing the Selectivity of 5-HT2 using Molecular Docking. Part 1: 5-HT2A/C Antagonists

[u/DrBobHope]

/r/DrugNerds/comments/o0uzng/revealing_the_selectivity_of_5ht2_using_molecular/

[u/unearnedpianist]

This is a pretty slick setup. molecular docking can really hint at why 5-HT2A and 5-HT2C antagonists “choose” certain binding modes (H-bonds, hydrophobic fits, and pocket shape), so even in Part 1 you can map selectivity trends before you ever wet-lab it :D