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In Silico Molecular Docking Approach of Melanin Against Melanoma Causing MITF Proteins and Anticancer, Oxidation–Reduction, Photoprotection, and Drug-Binding Affinity Properties of Extracted Melanin from Streptomyces sp. strain MR28

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Abstract

Melanin is a biopolymer reported for diverse biological actions to secure organisms over adverse environmental factors. In the last decade, melanin attributed considerable attention for its use in bioelectronics, photoprotection, environmental bioremediation, and drug discovery. Molecular docking study is the emerging trend in drug discovery for drug designing by targeting proteins. Considering the therapeutic nature of the melanin, we extracted melanin from Streptomyces sp. strain MR28, and it was tested for various biological activities, viz., DPPH free radical scavenging potency, sun protection factor (SPF), drug likeness by SwissADME, molecular docking of melanin on melanocyte-inducing transcription factor (MITF) proteins, cytotoxic activity on A375 malignant melanoma with induction of apoptosis study by flow cytometry, and adsorption study of melanin on doxorubicin and camptothecin drug for drug uptake by melanin. The melanin showed good scavenging potency of DPPH free radicals in a concentration-dependent manner. SPF of 38.64 ± 0.63, 55.53 ± 0.53, and 67.07 ± 0.82 were recorded at 0.06, 0.08, and 0.1 µg/mL, concentrations, respectively. SwissADME screening confirms the drug likeness of melanin. Docking of melanin with MITF proteins exhibited a maximum of − 9.2 kcal/mol binding affinity for 4ATK protein. Cytotoxicity of the melanin drug exhibited good inhibition of melanoma cells in dose-dependent way with significant IC50 of 65.61 µg/mL; apoptotic study reveals melanin showed 64.02% apoptosis for melanin and 33.8% apoptosis for standard drug (doxorubicin). The maximum adsorptions for selected drugs camptothecin and doxorubicin to melanin were recorded at 90 min. In conclusion, the extracted melanin showed significant results over many biological applications and it can be used in the pharmaceutical field to avoid chemical-based drugs.

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Acknowledgements

The authors are thankful to the Department of P.G Studies in Botany, Karnatak University Dharwad, Karnataka, India, for laboratory facilities. The authors are also thankful to the University Scientific and Instrumentation Centre (USIC) and Sophisticated Analytical Instrumentation Facility (SAIF), Karnatak University Dharad, for extending the instrument facilities.

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  1. P.G. Department of Studies in Botany, Karnatak University, Dharwad, Karnataka, 580003, India

    Muthuraj Rudrappa & Sreenivasa Nayaka

  2. Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia

    Raju Suresh Kumar

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All authors contributed to the study conception and design. Muthuraj Rudrappa: methodology, formal analysis and investigation, and writing—original draft preparation. Sreenivasa Nayaka: resources and supervision. Raju Suresh Kumar: writing—review and editing. All authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

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Rudrappa, M., Nayaka, S. & Kumar, R.S. In Silico Molecular Docking Approach of Melanin Against Melanoma Causing MITF Proteins and Anticancer, Oxidation–Reduction, Photoprotection, and Drug-Binding Affinity Properties of Extracted Melanin from Streptomyces sp. strain MR28. Appl Biochem Biotechnol 195, 4368–4386 (2023). https://doi.org/10.1007/s12010-023-04358-4

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