Afzal Muhammad, Abusalah Mai Abdel Haleem A, Shehzadi Neelum, Absar Muhammad, Ahmed Naveed, Khan Sarmir, Naseem Yalnaz, Mehmood Noshaba, Singh Kirnpal Kaur Banga
Faculty of Science and Technology, Department of Basic and Applied Chemistry, University of Central Punjab, Lahore, Pakistan.
Faculty of Allied Medical Sciences, Department of Medical Laboratory Sciences, Al-Ahliyya Amman University, Amman, Jordan.
PLoS One. 2025 Jan 23;20(1):e0310103. doi: 10.1371/journal.pone.0310103. eCollection 2025.
Mushrooms are considered one of the safe and effective medications because they have great economic importance due to countless biological properties. Cordyceps militaris contains bioactive compounds with antioxidant, antimicrobial and anti-cancerous properties. This study was projected to analyze the potentials of biometabolites and to extract antimicrobial peptides and protein from the C. militaris. An in-vitro analysis of biometabolites and antimicrobial peptides was performed to investigate their pharmacological potentials followed by quantification and characterization of extracted protein. Computational analysis on non-small cell lung cancer genes (NSCLC) was performed on quantified compounds to interpret the biometabolites from C. militaris that could be potential drug candidate molecules with high specificity and potency. A total of 34 compounds representing 100% of total detected constituents identified were identified using GCMS analysis and 20 compounds using LC-MS which showed strong biological activities. FT-IR spectroscopy manifest powerful instant peaks to have different bioactive components including carboxylic acid, phenols, amines and alkanes present in methanolic extract of C. militaris. In C. militaris, higher protein concentration was observed in 70% concentration of protein extract (500 μg/ml ± 0.025). The best antioxidant activity (% Radical scavenging activity) of methanolic extracts was 80a ± 0.03, antidiabetic activity was 37 ± 0.057 and anti-inflammatory activity was 40 ± 0.021 at 12 mg/ml. Antibacterial activity for different concentrations of Cordyceps protein and methanolic extracts was significantly (p < 0.05). Indolizine, 2-(4-methylphenyl) has most binding affinity (micromolar) and optimized properties to be selected as the lead inhibitor. It interacts favorably with the active site of RET gene of NSCLC and is neuroprotective and hepatoprotective.
蘑菇因其无数的生物学特性而具有重要的经济价值，被认为是安全有效的药物之一。北虫草含有具有抗氧化、抗菌和抗癌特性的生物活性化合物。本研究旨在分析北虫草生物代谢产物的潜力，并从中提取抗菌肽和蛋白质。对生物代谢产物和抗菌肽进行体外分析，以研究其药理潜力，随后对提取的蛋白质进行定量和表征。对定量化合物进行非小细胞肺癌基因（NSCLC）的计算分析，以解释北虫草中可能具有高特异性和效力的潜在药物候选分子的生物代谢产物。使用GCMS分析鉴定出总共34种化合物，占鉴定出的总检测成分的100%，使用LC-MS鉴定出20种化合物，这些化合物显示出很强的生物活性。傅里叶变换红外光谱显示，北虫草甲醇提取物中存在强大的即时峰，表明存在不同的生物活性成分，包括羧酸、酚类、胺类和烷烃。在北虫草中，在70%浓度的蛋白质提取物（500μg/ml±0.025）中观察到较高的蛋白质浓度。甲醇提取物的最佳抗氧化活性（%自由基清除活性）为80a±0.03，抗糖尿病活性为37±0.057，抗炎活性在12mg/ml时为40±0.021。不同浓度的虫草蛋白和甲醇提取物的抗菌活性具有显著差异（p<0.05）。2-（4-甲基苯基）中氮茚具有最高的结合亲和力（微摩尔）和优化的特性，可被选为先导抑制剂。它与NSCLC的RET基因活性位点相互作用良好，具有神经保护和肝脏保护作用。
