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来自L. 心材中未描述的生物活性成分的分离、表征、体外和计算机模拟评估。

Isolation, Characterization, In Vitro and In Silico Assessment of Undescribed Bioactive Constituents from L. Heartwood.

作者信息

Darshani Priya, Sarma Shreya Sen, Gajbhiye Rahul L, Srivastava Amit K, Kumar Deepak

机构信息

Organic and Medicinal Chemistry Division, CSIR-Indian Institute of Chemical Biology (IICB), 4, Raja SC Mullick Road, Jadavpur, Kolkata 700032, India.

National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Maniktala Main Rd, Kolkata 700054, India.

出版信息

ACS Omega. 2024 Dec 2;9(50):49013-49022. doi: 10.1021/acsomega.3c10180. eCollection 2024 Dec 17.

DOI:10.1021/acsomega.3c10180
PMID:39713615
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11656254/
Abstract

heartwood is well acknowledged for its medicinal properties and use in the furniture and handicraft industries. Owing to its medicinal properties, the present investigation aims to isolate and characterize the secondary metabolites from the heartwood. The investigation led to the isolation of one undescribed dehydropterocarpan and eleven known compounds. heartwood is found to be a new source for six compounds. Interestingly, the undescribed dehydropterocarpan is transformed into an artifact, which led us to understand the biosynthetic correlations. The isolated compounds displayed moderate inhibition of α-glucosidase and α-amylase. The enzymatic assay outcome is further complimented with the in silico docking analysis. We have also evaluated the compounds for their drug-likeness properties, which align with the desired characteristics of potential drug candidates.

摘要

心材因其药用特性以及在家具和手工艺品行业中的应用而广为人知。鉴于其药用特性，本研究旨在从心材中分离并鉴定次生代谢产物。该研究导致分离出一种未描述的脱氢紫檀素和十一种已知化合物。发现心材是六种化合物的新来源。有趣的是，未描述的脱氢紫檀素转化为一种人工产物，这使我们了解了生物合成相关性。分离出的化合物对α-葡萄糖苷酶和α-淀粉酶表现出适度的抑制作用。酶促分析结果通过计算机对接分析得到进一步补充。我们还评估了这些化合物的类药性质，这些性质与潜在药物候选物的理想特征相符。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/3b8b62c54de7/ao3c10180_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/1f5b77882ec4/ao3c10180_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/4593c99e569d/ao3c10180_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/c23bc1d5eac6/ao3c10180_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/3b8b62c54de7/ao3c10180_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/1f5b77882ec4/ao3c10180_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/4593c99e569d/ao3c10180_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/c23bc1d5eac6/ao3c10180_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1a3/11656254/3b8b62c54de7/ao3c10180_0004.jpg

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