Marine Biology Branch, Zoology Department, Faculty of Science, Al-Azhar University, Nasr City, 11884, Cairo, Egypt.
Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City-Cairo, 11884, Egypt.
Sci Rep. 2024 Nov 14;14(1):28028. doi: 10.1038/s41598-024-75446-6.
The anticancer, antimicrobial, and insecticidal activities of sarcotrocheliol (1) and cholesterol (2) obtained from the soft coral Sarcophyton trocheliophorum (S. trocheliophorum) were intensively studied. According to this study, both compounds 1 and 2 showed potential cytotoxicity towards the human colorectal carcinomaHCT-116 (IC 10.4, 11.8 µg/mL) and human liver carcinoma HepG2 cell lines (IC 8.8, 12.0 µg/mL), respectively. Compounds 1 and 2 were evaluated as potential inhibitors of caspase-3, a member of the cysteine protease family, which is considered a key enzyme in inducing cell apoptosis. Results showed that compounds 1 and 2 have induced apoptosis via up-regulation of caspase-3. Sarcotrocheliol (1) displayed antimicrobial activity against P. aeruginosa (15 mm), B. subtilis (15 mm), M. luteus (14 mm) and C. albicans (15 mm), with a MIC of 1.5 µg/mL against the reported test microorganisms. On the other hand, cholesterol (2) showed less activity towards P. aeruginosa (10 mm), B. subtilis (14 mm), S. aureus (12 mm) and C. albicans (10 mm) with MICs of 3.0, 1.5, 1.5 and 3.0 µg/mL against the tested microorganisms, respectively. Larvicidal activity revealed that compounds 1 and 2 induced remarkable toxicity against the third instar larvae of the mosquito, Culex pipiens even at concentration of 2 ppm. Adulticidal activity data showed that tested compounds are distinctly potent toxicants against the housefly, Musca domestica adult females. Overall, compound 2induced much more insecticidal activity than 1, and M. domestica adult females were more sensitive to tested compounds than C. pipiens larvae. Computationally, Density Functional Theory (DFT) analyses revealed that compound 2 had a higher dipole moment and lower band gap energy when compared to compound 1. So, compounds 2 is chemically more reactive and less stable than compound 1. According to the molecular docking study against PDB IDs: 3KJF, 5UHF and 1ACJ, compounds 1 and 2 demonstrated their activity mode as anticancer, antimicrobial, and insecticidal agents. The compounds exerted many interactions and showed high binding to the proteins, recognizing their potential as drug candidates with broad bioactivities.
从软珊瑚 Sarcophyton trocheliophorum（S. trocheliophorum）中获得的 sarcotrocheliol（1）和胆固醇（2）具有抗癌、抗菌和杀虫活性，对其进行了深入研究。根据这项研究，化合物 1 和 2 对人结肠直肠癌细胞 HCT-116（IC 10.4、11.8μg/mL）和人肝癌 HepG2 细胞系（IC 8.8、12.0μg/mL）均表现出潜在的细胞毒性。化合物 1 和 2 被评估为半胱氨酸蛋白酶家族成员 caspase-3 的潜在抑制剂，caspase-3 被认为是诱导细胞凋亡的关键酶。结果表明，化合物 1 和 2 通过上调 caspase-3 诱导细胞凋亡。Sarcotrocheliol（1）对 P. aeruginosa（15mm）、B. subtilis（15mm）、M. luteus（14mm）和 C. albicans（15mm）表现出抗菌活性，对报道的测试微生物的 MIC 为 1.5μg/mL。另一方面，胆固醇（2）对 P. aeruginosa（10mm）、B. subtilis（14mm）、金黄色葡萄球菌（12mm）和 C. albicans（10mm）的活性较低，MIC 分别为 3.0、1.5、1.5 和 3.0μg/mL。幼虫活性表明，化合物 1 和 2 对蚊子三龄幼虫 Culex pipiens 表现出显著的毒性，即使在 2ppm 的浓度下也是如此。成虫活性数据表明，测试化合物对家蝇 Musca domestica 成年雌性具有明显的毒性。总体而言，化合物 2 比 1 诱导了更高的杀虫活性，并且 M. domestica 成年雌性比 C. pipiens 幼虫对测试化合物更敏感。通过密度泛函理论（DFT）分析，发现与化合物 1 相比，化合物 2 具有更高的偶极矩和更低的能带隙能量。因此，化合物 2 在化学上比化合物 1 更具反应性和不稳定性。根据对 PDB IDs：3KJF、5UHF 和 1ACJ 的分子对接研究，化合物 1 和 2 表现出其作为抗癌、抗菌和杀虫剂的活性模式。这些化合物表现出多种相互作用，并与蛋白质表现出高结合度，证明它们具有作为具有广泛生物活性的候选药物的潜力。
