文章最新版

初稿

Fig_table 最新版

所需材料（随时更新）

网药分析

PPI

85.3 /home/yqyang/zzy/project/hsbd/np/ppi/analysis
awk '$2>0.02{print}' dc_bc_cc |awk '$3>0.29{print}'|awk '$4>5.73{print}'|sort -k4 -rg


# 查找24个核心靶点与新冠的联系

# 从 Component-target-pathway network.cys 文件里导出topological
parameters （csv文件），找出核心成分
# 85.3 /home/yqyang/zzy/project/hsbd/np/mgp/less-mol/check-32mol
awk -F ',' '{print $2,$3,$5,$8,$9}' mgp-topol-parm.csv |sed 's/"//g'|grep mol|sort -k3 -rg


awk -F ',' '{print $2,$3,$5,$8,$9}' mgp-topol-parm.csv |sed 's/"//g'|grep mol|sort -k3 -rg|head|awk '{print $5}'>top10-degree-mol


(base) [yqyang@localhost check-32mol]$ for i in `cat top10-degree-mol|head -n5`;do grep $i tcmid-name-smi-yls.csv ;done
TCMIP-111,甘草,Nortangeretin,TCMID-27696,O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12
TCMIP-101,半夏,Baicalein,TCMID-25849,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
TCMIP-115,广藿香,"4',7-dimethoxy-3,3',5-trihydroxyflavone",TCMID-05897,COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1
TCMIP-115,广藿香,"3,5-dihydroxy-7-dihydroxy,4'-dimethoxy flavonoids",TCMID-05890,COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1
TCMIP-133,生麻黄,herbacetin 7-methyl ether,TCMID-00054,COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1O

• TCMIP-111,甘草,Nortangeretin,TCMID-27696
• TCMIP-101,半夏,Baicalein（黄芩素）,TCMID-25849

• TCMIP-115,广藿香,4',7-dimethoxy-3,3',5-trihydroxyflavone（Ombuin 商陆素）,TCMID-05897

• TCMIP-133,生麻黄,herbacetin 7-methyl ether,TCMID-00054 (Pollenitin) Pollenitin | C16H12O7 | CID 44259965 - PubChem ETCM2.0

对接结果展示

MD