Network pharmacology and molecular docking analysis on molecular targets and mechanism prediction of Huanglian Jiedu Decoction in the treatment of COVID-19

Objective To investigate and predict the molecular targets and mechanism of Huanglian Jiedu Decoction(黄连解毒汤,HLJDD)in the treatment of Corona Virus Disease 2019(COV-ID-19)through network pharmacology and molecular docking analysis.Methods The chemical constituents and action targets of HLJDD were retrieved on Tradi-tional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),SymMap v2,Encyclopedia of Traditional Chinese Medicine(ETCM),a High-throughput Ex-periment-and Reference-guided Database of Traditional Chinese Medicine(HERB),and Tra-ditional Chinese Medicine Integrated Database(TCMID).UniProt and GeneCards were used to query the target genes that corresponding to the active compounds,and then a compound-target network was constructed using Cytoscape 3.7.2.Gene Ontology(GO)database was used to annotate GO functions.Kyoto Encyclopedia of Genes and Genomes(KEGG)was used to predict the possible mechanisms of active compounds.The Database for Annotation,Visu-alization and Integrated Discovery(DAVID)was used to analysis the tissue enrichment.The main active compounds in HLJDD are molecularly docked with their corresponding related targets.Results Seventy-six compounds were screened and 458 corresponding targets in the network were obtained.Gene annotation showed that the targets were involved mainly in 1953 biolo-gical processes.884 signaling pathways was enriched,involving signaling by interleukins,cy-tokine signaling in immune system,generic transcription pathway,and RNA polymerase II transcription.The targets mainly distributed in the lung,liver,and placenta,involving a vari-ety of immune cells,such as T cells and B cells.The molecular docking results showed that core compounds such as wogonin,berberine,and baicalein had high affinity with tumor nec-rosis factor(TNF),insulin(INS),and tumor protein 53(TP53).Conclusion The active compounds in HLJDD may have a therapeutic effect on COVID-19 through regulating multiple signal pathways by targeting genes such as vascular endothelial growth factor A(VEGFA),INS,interleukin-6(IL-6),TNF,caspase-3,TP53,and mitogen-activ-ated protein kinase 3(MAPK3).

The clinical and pathological characteristics of Chinese patients with pauci-immune crescent glomerulonephritis

目的 对寡免疫复合物型新月体肾炎进行临床病理分析。方法 采用病理检查包括 :光镜检查、免疫病理分析、血清学检查、肾功能检查以及统计学分析。结果 6 4 0 0例非移植肾活检中发现 2 4例寡免疫复合物型新月体肾炎 (PICGN)患者 ,占肾活检总数的 0 37% ,占新月体肾炎总数的 2 3 9% ,其中女性 16例 ,男性 8例 ,平均年龄 33岁。血管炎中微型多动脉炎 (33 3% )和结节性多动脉炎 (8 3% )为常见继发病因。抗中性粒细胞胞浆抗体 (ANCA)阳性率为 52 2 %。临床上多表现为急进性肾功能减退 (75 0 % ) ,发作性肉眼血尿发生率高 (58 3% ) ,高血压发生率为 4 5 8% ,肾病综合症发生率为 4 1 7% ,2 5%患者出现少尿无尿症状。除贫血外 ,肾外表现较少。病理上血管襻坏死 (6 2 5% )、单核及中性粒细胞浸润(6 6 7% )及小血管炎等为常见的急性病变 ;然而 ,小球硬化 (4 5 8% )、小管萎缩 (83 3% )、间质纤维化 (75 0 % )等慢性化病变也较严重。 2 2例患者行免疫抑制治疗 ,16例随访 8— 92个月 ,有 4例肾功能在正常范围 (<12 4 μmol/L) ,8例行非透析保守治疗 ,仅 4例进入终末期肾功能衰竭需进行维持性血透析治疗。结论 免疫抑制冲击治疗是治疗PICGN的有效方法。