4DQSAR
Bluelighter
- Joined
- Feb 3, 2025
- Messages
- 5,541
'Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods'
J Mol Model (2011) 17:477–493
DOI 10.1007/s00894-010-0745-1
I feel I should apologise because I have been referring people to a foundational paper and only just noted that the link is no longer valid.
I'm sure most people have noted that the vast majority of high affinity MOR ligands have two aromatic rings and that from 'tip to tail' the two rings (inclusive) are roughtly 15 methylenes equivelent (10-14Å) apart. With BDPC it's 14 hence the para bromo, with etonitazene it's 13 hence the para ethoxy. R-4066 and even nitrometofoline also fulfil that 'rule' so it's more common that is commonly noted.
This concept is (currently) termed the 'twin site receptor model'.
I don't study opioids because I ever intend to harm others, I study them because after a century, we are still unable to find all of the key moieties and as @fastandbulbous noted 'design of opioids uses black magic'. It's a field where individuals who concentate on a key facet may uncover something of value to others.
J Mol Model (2011) 17:477–493
DOI 10.1007/s00894-010-0745-1
I feel I should apologise because I have been referring people to a foundational paper and only just noted that the link is no longer valid.
I'm sure most people have noted that the vast majority of high affinity MOR ligands have two aromatic rings and that from 'tip to tail' the two rings (inclusive) are roughtly 15 methylenes equivelent (10-14Å) apart. With BDPC it's 14 hence the para bromo, with etonitazene it's 13 hence the para ethoxy. R-4066 and even nitrometofoline also fulfil that 'rule' so it's more common that is commonly noted.
This concept is (currently) termed the 'twin site receptor model'.
I don't study opioids because I ever intend to harm others, I study them because after a century, we are still unable to find all of the key moieties and as @fastandbulbous noted 'design of opioids uses black magic'. It's a field where individuals who concentate on a key facet may uncover something of value to others.
