Department of Biotechnology, School of Bioengineering and Biosciences, Lovely Professional University, Phagwara, Punjab, India.
Department of Research and Development, Lovely Professional University, Phagwara, Punjab, India.
J Recept Signal Transduct Res. 2022 Oct;42(5):521-530. doi: 10.1080/10799893.2022.2058016. Epub 2022 Jul 21.
Breast cancer (BC) is one of the leading types of cancer found in women. One of the causes reported for BC is improper regulation of epigenetic modifications. Various epigenetic targets such as histone deacetylases (HDAC) and histone acetyltransferases (HAT) regulate many types of cancer, including BC. Basil is known to possess anti-cancer properties; however, the role of its polysaccharides against different epigenetic targets is still not very clear. Therefore, the molecular docking method is used to find out the binding potential of the BPSs against different epigenetic targets responsible for BC.
All the basil polysaccharides (BPSs) were screened against the diverse epigenetic targets reported for BC (HDAC1-2, 4-8, and HAT) using molecular docking studies alongwith swissADME studies to check the drug likeliness of the BPSs.
It was found that glucosamine ring, glucosamine linear, glucuronic acid linear, rhamnose linear, glucuronic acid ring, galactose ring, mannose, glucose, and xylose were exhibited consistent binding potential against the epigenetic targets (HDAC1, HDAC2, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, and HAT,) responsible for BC.
This is the first report where BPSs were reported against these epigenetic targets. These studies can help to understand the underlying mechanism of BPSs used against epigenetic targets for BC. These results can be further validated experimentally to confirm their potential as a promising inhibitor against the epigenetic targets (HDAC1-2, 4-8, and HAT) having a role in BC.
乳腺癌（BC）是女性中最常见的癌症类型之一。据报道，BC 的一个病因是表观遗传修饰的不当调节。各种表观遗传靶点，如组蛋白去乙酰化酶（HDAC）和组蛋白乙酰转移酶（HAT），调节着包括 BC 在内的多种癌症。罗勒被认为具有抗癌特性；然而，其多糖针对不同的表观遗传靶点的作用尚不清楚。因此，本研究采用分子对接方法，找出 BPSs 与负责 BC 的不同表观遗传靶点的结合潜力。
采用分子对接研究，筛选出所有罗勒多糖（BPSs）与报道的针对 BC 的不同表观遗传靶点（HDAC1-2、4-8 和 HAT）进行筛选，并结合 swissADME 研究，检查 BPSs 的药物相似性。
发现葡糖胺环、葡糖胺线性、葡萄糖醛酸线性、鼠李糖线性、葡萄糖醛酸环、半乳糖环、甘露糖、葡萄糖和木糖对负责 BC 的表观遗传靶点（HDAC1、HDAC2、HDAC4、HDAC5、HDAC6、HDAC7、HDAC8 和 HAT）表现出一致的结合潜力。
这是首次报道 BPSs 针对这些表观遗传靶点。这些研究有助于了解 BPSs 针对表观遗传靶点用于 BC 的潜在机制。这些结果可以通过进一步的实验验证来确认它们作为针对在 BC 中起作用的表观遗传靶点（HDAC1-2、4-8 和 HAT）的有前途的抑制剂的潜力。
