Intramolecular hydrogen bonding in articaine can be related to superior bone tissue penetration: A molecular dynamics study

摘要: Local anesthetics (LAs) are drugs that cause reversible loss of nociception during surgical procedures. Articaine is a commonly used LA in dentistry has proven to be exceptionally effective penetrating bone tissue and induce anesthesia on posterior teeth maxilla mandibula. In the present study, our aim was gain deeper understanding penetration articaine through biological membranes by studying interactions with phospholipid membrane. Our approach involves Langmuir monolayer experiments combined molecular dynamics simulations. Membrane permeability LAs can modulated pH due titratable amine group pKa value close physiological pH. A change protonation state thus known act as lipophilicity switch LAs. study shows an additional unique its ability form intramolecular hydrogen bond. We suggest this bond novel solvent-dependent mechanism for modulation which may enhance diffusion connective tissue.