Bagal Varun Kishor, Rathod Sanket Somnath, Mulla Muskan Musa, Pawar Swaranjali Chandrakant, Choudhari Prafulla Balkrishna, Pawar Vijaykumar Tanajirao, Mahuli Deepak Vamanrao
Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, MS, India.
Department of Pharmacology, Bharati Vidyapeeth College of Pharmacy, Kolhapur, MS, India.
Nat Prod Res. 2023 Nov-Dec;37(23):4053-4057. doi: 10.1080/14786419.2023.2165076. Epub 2023 Jan 9.
and are the widely used plant in Ayurvedic systems of medicine. Both plants are well known for their immunomodulatory activity. In the current study, in silico exploration was performed using advanced computational techniques such as molecular docking and molecular dynamics simulation approach. Bioactive molecules from the and were docked against the Human IL-2. Out of all the docked bioactive molecules, Pygenic acid-B (PubChem CID:146157192) showed the highest negative binding affinity.
[植物名称1]和[植物名称2]是阿育吠陀医学体系中广泛使用的植物。这两种植物都因其免疫调节活性而闻名。在当前的研究中，使用了诸如分子对接和分子动力学模拟方法等先进的计算技术进行了计算机模拟探索。从[植物名称1]和[植物名称2]中提取的生物活性分子与人类白细胞介素-2进行了对接。在所有对接的生物活性分子中，热原酸-B（PubChem CID：146157192）显示出最高的负结合亲和力。
需注意，原文中[植物名称1]和[植物名称2]未给出具体信息，翻译时保留了英文表述。
