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The International Conference Education and Creativity for a Knowledge – based Society – MEDICINE, DENTAL MEDICINE AND PHARMACY - 2020

IN SILICO ANALYSE OF NOROXYHYDRASTININE, A NATURAL SUBSTANCE WITH POTENTIAL ANTI-CANCEROUS ACTIVITY

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Tăbleț Cristina

A recent virtual screening of a large number of natural compoundspointed out noroxyhydrastinine as a potential molecule with anticancer activity. Hereis presented a systematic analysis, totally madein silico, about the physicochemical properties, lipophilicity,and drug-likeness of this molecule. Its absorption, distribution, metabolism, excretion, and toxicity parameters were estimated by a free online available tool, pKCSM. The interaction ofnoroxyhydrastininewith cyclin-dependent kinase 2 (CDK2), a well-known targetin anticancer therapy, was investigated by molecular dockingusingAutoDockVina in UCSF Chimerasoftware.

https://doi.org/10.58679/UTM44999

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