Khojah Hanan, Mostafa Ehab M, Aljounaidi Asail A, Saleh Abdulrahman M, El-Nablaway Mohammad, Ismail Ahmed
Department of Pharmacy, College of Pharmacy, Nursing and Medical Sciences, Riyadh Elm University, Riyadh, Saudi Arabia.
Department of Pharmacognosy, College of Pharmacy, Jouf University, Sakaka, Saudi Arabia.
Heliyon. 2024 Aug 5;10(15):e35839. doi: 10.1016/j.heliyon.2024.e35839. eCollection 2024 Aug 15.
Malabar tamarind tropical fruit, scientifically known as gummi-gutta, is indigenous to Southeast Asia. In this work, the total methanolic extract of the Malabar fruit rind was examined by HPTLC fingerprinting, with quantitative evaluation of the total phenolics and flavonoids. Library of previously reported natural metabolites was utilized to demonstrate their affinity for specific target sites, they were evaluated against Omicron SARS-CoV-2 mainly it's Spike Protein, bacterial tyrosinase, and antidiabetic targets such α-glucosidase, pancreatic lipase and also α-amylase enzymes. The molecular docking revealed that the Guttiferone R possessed the highest binding affinity toward the Omicron Spike Protein with a stable binding mode, -8.67 kcal/mol binding energy and a 1.07 Å RMSD value compared to reference, Azithromycin, which has -8.90 kcal/mol binding affinity and a 1.20 Å RMSD value. On the other hand, the identified polyphenolic compounds; Vitexin, Prunin, Naringin, Hinokiflavone, Kaempherol-3-O-rutinoside, Gallic acid, Naringenin, and Catechin, showed remarkable antidiabetic activity by strong inhibitory activity against α-glucosidase and notable activity against α-amylase compared with acarbose as reference. According to antibacterial activity, the identified compounds showed low affinity with weak activity against screened bacterial strains. evaluation of Tamarind antioxidant and antidiabetic potentials, it exhibited a free radical-scavenging potential with 71.75 % retardation and α-glucosidase, α-amylase and pancreatic lipase inhibitor activities with an IC50 of 391.3 ± 26.27, 95.03 ± 0.03 and 0.01043 ± 0.0004 μg/mL, respectively that emphasize the molecular docking study. The findings imply that Malabar tamarind fruit rind possess antioxidant, antidiabetic, antibacterial and antiviral activities.
马拉巴尔罗望子热带水果，学名胡桐，原产于东南亚。在这项研究中，采用高效薄层色谱指纹图谱法对马拉巴尔水果果皮的总甲醇提取物进行了检测，并对总酚类和黄酮类进行了定量评估。利用先前报道的天然代谢产物库来证明它们对特定靶点的亲和力，主要针对奥密克戎新冠病毒（特别是其刺突蛋白）、细菌酪氨酸酶以及抗糖尿病靶点（如α-葡萄糖苷酶、胰脂肪酶和α-淀粉酶）对它们进行了评估。分子对接显示，与参考药物阿奇霉素（结合亲和力为-8.90 kcal/mol，RMSD值为1.20 Å）相比，藤黄双黄酮R对奥密克戎刺突蛋白具有最高的结合亲和力，结合模式稳定，结合能为-8.67 kcal/mol，RMSD值为1.07 Å。另一方面，鉴定出的多酚化合物（牡荆素、樱草糖苷、柚皮苷、扁柏黄酮、山奈酚-3-O-芸香糖苷、没食子酸、柚皮素和儿茶素）与阿卡波糖作为参考相比，通过对α-葡萄糖苷酶的强抑制活性和对α-淀粉酶的显著活性表现出显著的抗糖尿病活性。根据抗菌活性，鉴定出的化合物对筛选出的细菌菌株显示出低亲和力和弱活性。对罗望子抗氧化和抗糖尿病潜力的评估表明，它具有清除自由基的潜力，抑制率为71.75%，对α-葡萄糖苷酶、α-淀粉酶和胰脂肪酶的抑制活性IC50分别为391.3±26.27、95.03±0.03和0.01043±0.0004 μg/mL，这强调了分子对接研究。研究结果表明，马拉巴尔罗望子果皮具有抗氧化、抗糖尿病、抗菌和抗病毒活性。
