Molecular target prediction and pharmacological potential of ethyl 2-[(2-chloroethoxy)(phenyl)phosphoryl]acetate

Authors

  • Kh. A. Asadov Baku State University, Baku, Azerbaijan
  • Baku State University, Baku, Azerbaijan
  • E. Z. Huseyinov Baku State University, Baku, Azerbaijan
  • F. N. Naghiyev Baku State University, Baku, Azerbaijan
  • A. S. Safarova Baku State University, Baku, Azerbaijan

Abstract

In recent years, in silico methods for predicting the biological activity of small molecules have become an integral part of the early stages of drug development. The use of computational approaches can significantly reduce the time and cost associated with experimental screening, as well as increase the probability of successful identification of promising candidates.

References

Gfeller D., Grosdidier A., Wirth M. et al. SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Research, 2014, 42(W1), W32–W38.

Bento A. P., Gaulton A., Hersey A. et al. The ChEMBL bioactivity database: an update. Nucleic Acids Research, 2014, 42(D1), D1083–D1090.

He T., Caba K., Ballester P. J.A precise comparison of molecular target prediction methods. Drug Discovery Today: Disease Models, 2025. This paper systematically compares current methods for predicting biological targets, including MolTarPred, PPB2, TargetNet, etc., with an analysis of their efficacy on a set of approved drugs.

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Published

2026-04-14

Issue

Section

Organic Chemistry