关键词: Bank Data Discrimination Docking Drug Salivary Sera

Mesh : Humans Male Saliva / metabolism Toxoplasma Female Adult Toxoplasmosis / drug therapy blood metabolism parasitology Immunoglobulin G / blood Cross-Sectional Studies Inflammation / metabolism Immunoglobulin M / blood metabolism Middle Aged Young Adult Antibodies, Protozoan / immunology Computer Simulation Seroepidemiologic Studies Adolescent Molecular Docking Simulation

来  源:   DOI:10.1038/s41598-024-63735-z   PDF(Pubmed)

Abstract:
We aimed to assess salivary and seroprevalence of Toxoplasma immunoglobulins in risky populations and evaluate drug docking targeting TgERP. A cross-sectional study was conducted in Alexandria University hospitals\' outpatient clinics. 192 participants were enrolled from September 2022 to November 2023. Anti-Toxoplasma IgG and IgM were determined in serum and saliva by ELISA. An in-Silico study examined TgERP\'s protein-protein interactions (PPIs) with pro-inflammatory cytokine receptors, anti-inflammatory cytokine, cell cycle progression regulatory proteins, a proliferation marker, and nuclear envelope integrity-related protein Lamin B1. Our findings revealed that anti-T. gondii IgG were detected in serum (66.1%) and saliva (54.7%), with 2.1% of both samples were positive for IgM. Salivary IgG had 75.59% sensitivity, 86.15% specificity, 91.40% PPV, 64.40% NPP, 79.17% accuracy and fair agreement with serum IgG. On the other hand, the sensitivity, specificity, PPV, NPV, and accuracy in detecting salivary IgM were 75.0%, 99.47%, 75.0%, 99.47%, and 98.96%. AUC 0.859 indicates good discriminatory power. Examined synthetic drugs and natural products can target specific amino acids residues of TgERP that lie at the same binding interface with LB1 and Ki67, subsequently, hindering their interaction. Hence, salivary samples can be a promising diagnostic approach. The studied drugs can counteract the pro-inflammatory action of TgERP.
摘要:
我们旨在评估危险人群中弓形虫免疫球蛋白的唾液和血清阳性率,并评估靶向TgERP的药物对接。在亚历山大大学医院的门诊诊所进行了一项横断面研究。从2022年9月至2023年11月,共有192名参与者参加。ELISA法测定血清和唾液中抗弓形虫IgG和IgM。Silico研究检查了TgERP蛋白-蛋白相互作用(PPI)与促炎细胞因子受体,抗炎细胞因子,细胞周期进程调节蛋白,增殖标记,和核包膜完整性相关蛋白LaminB1。我们的发现揭示了反T.血清(66.1%)和唾液(54.7%)中检测到刚地IgG,2.1%的样本IgM阳性。唾液IgG有75.59%的敏感性,86.15%特异性,91.40%PPV,64.40%NPP,准确度为79.17%,与血清IgG相当。另一方面,灵敏度,特异性,PPV,NPV,检测唾液IgM的准确率为75.0%,99.47%,75.0%,99.47%,98.96%。AUC0.859表示良好的鉴别力。经过检查的合成药物和天然产物可以靶向TgERP的特定氨基酸残基,这些残基位于与LB1和Ki67相同的结合界面上,阻碍他们的互动。因此,唾液样本可能是一种有前途的诊断方法.所研究的药物可以抵消TgERP的促炎作用。
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