Investigation of antidiabetic properties of shikonin by targeting aldose reductase enzyme: In silico and in vitro studies

• DOI: 10.1016/j.biopha.2022.112985
• Publication Date: 2022-05-02T21:17:24Z
• Authors: Mohd Saeed; Munazzah Tasleem; Ambreen Shoaib; Nadiyah M. Alabda...; Md. Jahoor Alam; Zeina El Asmar; Qazi Mohammad Saj...; Fevzi Bardakci; Irfan Ahmad Ansari; Mohammad Javed An...; Feng Wang; Riadh Badraoui; Dharmendra Kumar ...
• Keywords: ADME; Aldehyde Reductase

Diabetes is a complicated multifactorial disorder in which the patient generally observes polyphagia, polydipsia, and polyuria due to uncontrolled growth blood sugar levels. For its management, pharmaceutical industry working day night find better drug with no or least toxicity. That's why nowadays more focused branch use herbal phytoconstituents for prevention. Shikonin naphthoquinone natural dye that isolated from plants of Boraginaceae family has proven role as an anti-cancer, anti-inflammatory, anti-gonadotrophic agent. In our previous study, we have published anti-diabetic action by inhibiting enzyme protein tyrosine phosphatase 1B. this were on finding out pharmacophores aldose reductase (AR) enzyme. The study was conducted using pharmacophore modeling, molecular docking, dynamics simulation studies. absorption, distribution, metabolism, excretion (ADME), toxicity profile also evaluated study. Along all computational biology parameters vitro activity kinetic inhibitory against reductase.