Drug design of an anticancer drug: QSAR modeling, and molecular docking
Leukemia is a type of cancer that has been treated using a variety of methods. The most effective treatment involves irreversible electroporation has been combined with drug delivery through reversible electroporation. Therefore, current research has been focused on finding the most effective drug a...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-09-01
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| Series: | Results in Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S259012302502314X |
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| Summary: | Leukemia is a type of cancer that has been treated using a variety of methods. The most effective treatment involves irreversible electroporation has been combined with drug delivery through reversible electroporation. Therefore, current research has been focused on finding the most effective drug and exploring the use of electroporation for treating all types of cancers. In this study, the induced myeloid leukemia cell differentiation protein Mcl-1 homolog was chosen as the target. Sixty-four compounds from various databases were selected for further analysis. QSAR modeling of these compounds was conducted using MATLAB coding (MLR method). Subsequently, molecular docking was performed to study the interactions of the drug targets and identify the best drug candidate. Additionally, new targets for treating acute myeloid leukemia were explored. These steps have significantly reduced the time and cost and involved in identifying potential drugs, from years to just hours. |
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| ISSN: | 2590-1230 |