Topological Characterization of Some New Anti-Viral Drugs for Cancer Treatment.

Autor: Zaman, Shahid, Mushtaq, Mahnoor, Danish, Muhammad, Ali, Parvez, Rasheed, Sadaf
Zdroj: BioNanoScience; Dec2024, Vol. 14 Issue 5, p4864-4876, 13p
Abstrakt: Topological characterization in drug design is used to predict the pharmacological properties of compounds. In drug activity, these indices help to assess a compound's biological activity, such as binding affinity to a target protein or enzyme, by quantifying its molecular complexity and functional groups. Topological indices are useful in the development of new medications with properties similar to those of effective anti-cancer drugs. In this paper, the medications used to cure cancer are perfragilin A, carmustine, and melatonin. In order to represent the features of these medications in QSPR, the idea of edge partitions has been applied, and curve fitting model is used to construct the QSPR study. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index