Building a Chemical Space Map for in- silico Prediction of Supersaturation by Mesoporous Silica

13:50 - 14:25

  • Mesoporous silica has received increasing attention for stabilizing API in amorphous phase and yielding enhancement of apparent solubility relative to crystalline form.
  • The objective of our research is to elucidate molecular descriptors of drug like compounds which are most important for in- silico prediction of supersaturation by mesoporous silica.
  • Preliminary data on 12 test compounds demonstrates good correlation of total hydrogen bond formers and Tm/Tg with high probability of a solubility enhancing formulation with mesoporous silica.
  • This technology has shown promise to be used in quick evaluation of amorphous formulations in preclinical PK studies

Suman Luthra, Senior Principal Scientist, Pfizer