探索Pongamia pinnata植物提取物针对皮肤癌的治疗潜力：内和体外研究
Exploring the therapeutic potential of Pongamia pinnata plant extract against skin cancer: In-silico and in-vitro study
影响因子:5.40000
分区:医学2区 / 全科医学与补充医学1区 药学1区 药物化学2区 植物科学2区
发表日期:2025 Jan 30
作者:
Lakshmi Navyatha Karamala, Yalpi Karthik, Megha Raghu, N Aditi, V Rachana, Akshatha Prasanna, Rajeswari Narayanappa, D Ramakrishna, Shashank A Tidke, Muntazir Mushtaq, Samy Sayed, Ibrahim Jafri, Ghadi Alsharif
摘要
属于Fabaceae家族的Pongamia pinnata linn具有重要的意义，是草药中的重要疗法。目前的研究旨在确定植物提取物的抗癌和抗氧化特性。该方法包括通过Soxhlet方法提取叶片样品的叶片样品，该方法是由羊皮提取物的肥皂水分析进行的。通过二利方法，用10种配体分析了三种抗癌受体，这些配体使用分子对接和分子模拟方法进行了研究。对石油醚提取物的硅内测试的预测结果是随后的体外研究的基础。使用GC-MS分析对植物提取物进行植物化学分析，并使用MTT分析对A431皮肤细胞系进行了细胞毒性测试。pongamia pinnata作为抗癌剂的结合亲和力相对于靶标EGF，EGF，EGFR，EGFR，ERBB2很明显。在Silico研究研究中，与pazopanib的EGF相对于对接配合物的最高结合亲和力为-8.2 kcal/mol，EGFR的EGFR与pongachromene的EGFR为-8.3 kcal/mol，使用vitexin的ERBB2的pongaChromene，-9.5 kcal/mol。此外，这些复合物通过分子模拟评估，并证实了这些复合物的稳定性。在体外研究中，HPLC结果表明存在0.176±0.001 mg/ml苯酚和0.159±0.001 mg/ml类黄酮。 IC50值为1.051，揭示了抗氧化电位。针对A431皮肤癌细胞的细胞毒性研究导致IC50浓度为89.59μg/ml。这些研究表明，P. pinnata具有作为治疗皮肤肿瘤的治疗剂的特性。分子模拟研究方法是药物发现的预测指标，是测试针对皮肤肿瘤的抗癌活性的基础。结果，它可能是用于治疗黑色素瘤的粗药物的有用来源。
Abstract
Pongamia pinnata Linn belonging to the Fabaceae family, holds significance as a crucial remedy in herbal medicine.The present study aims to determine the anticancer and antioxidant properties of the plant extract.The methodology includes extraction of the leaf sample by soxhlet method followed by the phytochemical analysis of leaf extract. Through in-silico approach three anti-cancer receptors were analyzed with 10 ligands which were studied using molecular docking and molecular simulation approach. The prediction outcome of in-silico tests on the petroleum ether plant extract served as a foundation for the subsequent in-vitro studies. Phytochemical profiling of plant extracts using GC-MS analysis, and cytotoxicity testing for A431 skin cell line using MTT Assay.The binding affinity of Pongamia pinnata as an anti-cancer agent with respect to the targets EGF, EGFR, ERBB2 was evident. In the in-silico studies, the highest binding affinity with respect to the docked complexes were -8.2 kcal/mol for EGF with Pazopanib, -8.3 kcal/mol for EGFR with pongachromene, -9.5 kcal/mol for ERBB2 with Vitexin. Further these complexes were assessed by molecular simulations and it confirms the stability of these complexes. In in-vitro studies the HPLC results indicated the presence of 0.176 ± 0.001 mg/mL of phenols and 0.159 ± 0.001 mg/mL of flavonoids. The IC50 value was 1.051 which revealed the antioxidant potential. The cytotoxicity studies against the A431 skin cancer cell resulted in an IC50 concentration of 89.59 μg/ml.These studies show that P. pinnata has the properties to serve as a therapeutic agent for the treatment of skin tumors. The molecular simulation studies approach is a predictor for drug discovery, acting as a basis for testing anti-cancer activity against the skin tumor. As a result, it can be a useful source of crude drug for the treatment of melanomas.