DOI: 10.53501/rteufemud.1898131 ISSN: 2687-2315

In Silico Evaluation of ADMET and Broad-Spectrum Bioactivity of Some dihydrochromenochromene-diol Derivatives Novel Drug Candidates for Huntington’s Disease Treatment

Esra Hacıfazlıoğlu, Fatih İslamoğlu
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In this study, we determined the ADMET and broad-spectrum bioactivity properties of some dihydrochromenochromene-diol derived compounds that have been identified as having po-tential for use in the treatment of Huntington's disease (HD). To this end, we first examined the physicochemical, lipophilicity, water solubility, absorption, distribution, metabolism and excretion, toxicity, environmental toxicity, Tox21 pathway, and medicinal chemistry proper-ties of the molecules considered within the scope of ADMET. In terms of broad spectrum bioactivity, acute toxicity in rats, side effects of drugs on the cardiovascular and hepatobili-ary systems, antibacterial activity, antifungal activity, anti-HIV activity, antiviral activity, and interaction with tumor and non-tumor cell lines values were calculated. Based on all the calculations obtained, it was concluded that molecule 3 (2,7-diethyl-3,8-dimethyl-5,10-dihydrochromeno[5,4,3-cde]chromene-5,10-diol) could be an ideal molecule for the treat-ment of HD in terms of ADMET and broad spectrum bioactivity.

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