In-silico STUDIES OF UNIQUE SCHIFF BASE OF BENZIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS
One of the most hazardous illnesses affecting peopleis breast cancer, but there is currently no permanent treatment available. New drug therapies with better pharmacokinetic characteristics are needed to treat breast cancer. The current work made use of computer modeling ideas such as docking for evaluating the efficacy and potency of novel designed three series of benzimidazole derivatives against the crystal structure of Estrogen receptor alpha. The results of molecular docking showed that Schiff baseof 2-substituted benzimidazole with quinoline and substituted benzaldehyde produced subpar results when compared to internal standards, whereas Schiff base of 2-substituted benzimidazole with pyrazole as a substituent produced the greatest results. Therefore, series with pyrazole as a substituent might be thought of as the finest for creating new compounds. The results of the docking were further confirmed by molecular dynamicsimulationwhich examined the strength of the macromolecular complex with regard to time.Additionally, these compounds displayed an improved pharmacokinetic profile.
Readers around the world
