TY  - JOUR
N1  - The copyright of this article belongs to Elsevier Science
ID  - open3172
UR  - https://www.sciencedirect.com/science/article/pii/S0223523423000685?via%3Dihub
A1  - Choudhury , Chinmayee
A1  - Kumar, Vivek
A1  - Kumar, Rakesh
Y1  - 2023/03/05/
N2  - In modern drug discovery and development, the prodrug approach has become a crucial strategy for enhancing the pharmacokinetic profiles of drugs. A prodrug is a chemical compound, which gets metabolized into a pharmacologically active form (drug) inside the body after its administration. In the current work, we report 'smProdrugs' (http://cheminfolab.in/databases/prodrug/), which is one of the first exclusive databases on small molecule prodrugs. It stores the structures, physicochemical properties and experimental ADMET data manually curated from literature. SmProdrugs lists 626 small molecule prodrugs and their active compounds with the above mentioned experimental data from 1808 research articles and 61 patents have been stored. The information page of each record gives the structures and properties of the prodrug and the active drug side by side which makes it easy for the user to instantly compare them. The structural modifications in the prodrug/active drugs are highlighted in a different colour for easy comparison. Experimental data has been curated from the downloaded PubMed and patent articles and were catalogued in a tabular form with more than 25 fields under sub-sections i) name and structures of the prodrugs and their active compounds, ii) mode of activation of the prodrug and enzyme/biocatalyst involved in the conversion, iii) indications/disease, iv) pharmacological target, v) experimental pharmacokinetic properties such as solubility, absorption, volume of distribution, half-life, clearance etc. and vi) information on the purpose/gain from the prodrug strategies. Considering the ever expanding utility of the prodrug approach smProdrugs will be of great use to the scientific community working on rational design of small molecule prodrugs.


PB  - Elsevier Science
JF  - Journal of Medicinal Chemistry 
VL  - 249
KW  - ADMET; Amenable group; Bioavailability; Co-drugs; Mutual prodrugs; Pharmacokinetics; Physiological barrier; Prodrug; Promoiety
TI  - smProdrugs: A repository of small molecule prodrugs

ER  -