Abdelsalam Eman, Ibrahim Amal Mosad, El-Rashedy Ahmed A, Abdel-Aziz Mohamed S, Kutkat Omnia, El-Hady Faten K Abd
Chemistry of Natural and Microbial Products Department, Pharmaceutical and Drug Industries Research Institute, National Research Centre, 33 El Buhouth St, Dokki-Giza, Egypt.
Department of Microbial Chemistry, National Research Centre, Giza, 12622, Egypt.
Sci Rep. 2025 Jan 3;15(1):685. doi: 10.1038/s41598-024-77854-0.
The COVID-19 pandemic has caused significant mortality and morbidity for millions of people. Severe Acute Respiratory Syndrome-2 (SARS-CoV-2) virus is capable of causing severe and fatal diseases. We evaluated the antiviral properties of Aspergillus tamarii SP73-EGY isolate extract against low pathogenic coronavirus (229E), Adeno-7- and Herpes-2 viruses. The extract showed a high selectivity index (SI = 43.4) and a significant inhibition of 229E (IC = 8.205 μg/ml). It was stronger than the drug control, remdesivir (IC = 38.2 μg/ml, SI = 7.29). However, the extract showed minimal efficacy against Adeno-7- and Herpes-2-Viruses (IC = 22.52, 47.79 μg/ml, and SI = 6.75, 5.08, respectively). It exhibited profound efficacy against the highly pathogenic SARS-CoV-2 (IC = 8.306 μg/ml, SI = 42.2). Kojic acid, the primary component of the extract, showed substantial antiviral activity against SARS-CoV-2 (IC = 23.4 μg/ml, SI = 5.6), Remdesivir (IC = 4.55 μg/ml, SI = 61.45). Therefore, the extract demonstrated the most notable antiviral characteristics against coronavirus infection. Co-infecting microorganisms may contribute to immune system deterioration and airway injury caused by SARS-CoV-2. The extract showed significant efficacy against E. coli and P. aeruginosa, with an inhibition range of 3.5-10 mm at a concentration of 200 mg/ml. A molecular docking study showed that hexadecanoic, Kojic, octanoic acids, and 4(4-Methylbenzylidene)cyclohexane-1,3-dione have stronger binding affinity to the SARS-CoV-2 M than Remdesivir. Molecular dynamics simulations were employed to examine the structural stability and flexibility of these complexes. This confirmed the high binding affinities of Kojic acid and 4(4-Methylbenzylidene)cyclohexane-1,3-dione, thereby proving their potential as novel anti-SARS-CoV-2.
新冠疫情已导致数百万人出现严重的死亡率和发病率。严重急性呼吸综合征冠状病毒2（SARS-CoV-2）能够引发严重且致命的疾病。我们评估了塔宾曲霉SP73-EGY分离株提取物对低致病性冠状病毒（229E）、腺病毒7型和疱疹病毒2型的抗病毒特性。该提取物显示出高选择性指数（SI = 43.4），并对229E有显著抑制作用（IC = 8.205 μg/ml）。其效果强于药物对照瑞德西韦（IC = 38.2 μg/ml，SI = 7.29）。然而，该提取物对腺病毒7型和疱疹病毒2型的效果甚微（IC分别为22.52、47.79 μg/ml，SI分别为6.75、5.08）。它对高致病性SARS-CoV-2显示出显著效果（IC = 8.306 μg/ml，SI = 42.2）。提取物的主要成分 kojic 酸对SARS-CoV-2显示出显著抗病毒活性（IC = 23.4 μg/ml，SI = 5.6），对瑞德西韦（IC = 4.55 μg/ml，SI = 61.45）也有活性。因此，该提取物对冠状病毒感染显示出最显著的抗病毒特性。共同感染的微生物可能会导致SARS-CoV-2引起的免疫系统恶化和气道损伤。该提取物对大肠杆菌和铜绿假单胞菌显示出显著效果，在浓度为200 mg/ml时抑制范围为3.5 - 10 mm。分子对接研究表明，十六烷酸、 kojic 酸、辛酸和4(4 - 甲基亚苄基)环己烷 - 1,3 - 二酮与SARS-CoV-2 M蛋白的结合亲和力比瑞德西韦更强。采用分子动力学模拟来研究这些复合物的结构稳定性和灵活性。这证实了 kojic 酸和4(4 - 甲基亚苄基)环己烷 - 1,3 - 二酮具有高结合亲和力，从而证明了它们作为新型抗SARS-CoV-2药物的潜力。
