TY - JOUR

T1 - Recent Advances in Co-Former Screening and Formation Prediction of Multicomponent Solid Forms of Low Molecular Weight Drugs

AU - Deng, Yuehua

AU - Liu, Shiyuan

AU - Jiang, Yanbin

AU - Martins, Inês C.B.

AU - Rades, Thomas

N1 - Funding Information: This work was supported by the National Natural Science Foundation of China (No. 22178121); and the Basic and Applied Basic Research Foundation of Guangdong Province (No. 2022A1515110701). Funding from the Chinese Scholarship Council (202206150052) for this international collaboration is also acknowledged. Publisher Copyright: © 2023 by the authors.

PY - 2023

Y1 - 2023

N2 - Multicomponent solid forms of low molecular weight drugs, such as co-crystals, salts, and co-amorphous systems, are a result of the combination of an active pharmaceutical ingredient (API) with a pharmaceutically acceptable co-former. These solid forms can enhance the physicochemical and pharmacokinetic properties of APIs, making them increasingly interesting and important in recent decades. Nevertheless, predicting the formation of API multicomponent solid forms in the early stages of formulation development can be challenging, as it often requires significant time and resources. To address this, empirical and computational methods have been developed to help screen for potential co-formers more efficiently and accurately, thus reducing the number of laboratory experiments needed. This review provides a comprehensive overview of current screening and prediction methods for the formation of API multicomponent solid forms, covering both crystalline states (co-crystals and salts) and amorphous forms (co-amorphous). Furthermore, it discusses recent advances and emerging trends in prediction methods, with a particular focus on artificial intelligence.

AB - Multicomponent solid forms of low molecular weight drugs, such as co-crystals, salts, and co-amorphous systems, are a result of the combination of an active pharmaceutical ingredient (API) with a pharmaceutically acceptable co-former. These solid forms can enhance the physicochemical and pharmacokinetic properties of APIs, making them increasingly interesting and important in recent decades. Nevertheless, predicting the formation of API multicomponent solid forms in the early stages of formulation development can be challenging, as it often requires significant time and resources. To address this, empirical and computational methods have been developed to help screen for potential co-formers more efficiently and accurately, thus reducing the number of laboratory experiments needed. This review provides a comprehensive overview of current screening and prediction methods for the formation of API multicomponent solid forms, covering both crystalline states (co-crystals and salts) and amorphous forms (co-amorphous). Furthermore, it discusses recent advances and emerging trends in prediction methods, with a particular focus on artificial intelligence.

KW - co-amorphous

KW - co-crystal

KW - co-former screening

KW - formation prediction of multi-component solid forms

U2 - 10.3390/pharmaceutics15092174

DO - 10.3390/pharmaceutics15092174

M3 - Review

C2 - 37765145

AN - SCOPUS:85172669574

VL - 15

JO - Pharmaceutics

JF - Pharmaceutics

SN - 1999-4923

IS - 9

M1 - 2174

ER -