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Investigation of COSMO-SAC model for solubility and cocrystal formation of pharmaceutical compounds.

ABSTRACT: In this study, a predictive model named COSMO-SAC was investigated in solid/liquid equilibria for pharmaceutical compounds. The examined properties were the solubility of drug in the pure and mixed solvents, octanol/water partition coefficient, and cocrystal formation. The results of the original COSMO-SAC model (COSMO-SAC (2002)) was compared with a semi-predictive model named Flory-Huggins model and a revised version of the COSMO-SAC (COSMO-SAC (2010)). The results indicated the acceptable accuracy of the COSMO-SAC (2002) in the considered scope. The results emphasized on the suitability of the COSMO-SAC model for simple molecules containing C, H, and O by covalent and hydrogen bonding interactions. Applicability of the COSMO-SAC for more complicated molecules made of various functional groups such as COO and COOH doubly requires more modification in the COSMO-SAC.

SUBMITTER: Mahmoudabadi SZ

PROVIDER: S-EPMC7670437 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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Investigation of COSMO-SAC model for solubility and cocrystal formation of pharmaceutical compounds.

Mahmoudabadi Samane Zarei SZ Pazuki Gholamreza G

Scientific reports 20201116 1

In this study, a predictive model named COSMO-SAC was investigated in solid/liquid equilibria for pharmaceutical compounds. The examined properties were the solubility of drug in the pure and mixed solvents, octanol/water partition coefficient, and cocrystal formation. The results of the original COSMO-SAC model (COSMO-SAC (2002)) was compared with a semi-predictive model named Flory-Huggins model and a revised version of the COSMO-SAC (COSMO-SAC (2010)). The results indicated the acceptable acc ...[more]

PMID: 33199834

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