Identifying potential treatments of COVID-19 from Traditional Chinese Medicine (TCM) by using a data-driven approach.

ETHNOPHARMACOLOGICAL RELEVANCE: Traditional Chinese Medicine (TCM) has been widely used as an approach worldwide. Chinese Medicines (CMs) had been used to treat and prevent viral infection pneumonia diseases for thousands of years and had accumulated a large number of clinical experiences and effective prescriptions. AIM OF THE STUDY: This research aimed to systematically excavate the classical prescriptions of Chinese Medicine (CM), which have been used to prevent and treat Pestilence (Wenbing, Wenyi, Shiyi or Yibing) for long history in China, to obtain the potential prescriptions and ingredients to alternatively treat COVID-19. MATERIALS AND METHODS: We developed the screening system based on data mining, molecular docking and network pharmacology. Data mining and association network were used to mine the high-frequency herbs and formulas from ancient prescriptions. Virtual screening for the effective components of high frequency CMs and compatibility Chinese Medicine was explored by a molecular docking approach. Furthermore, network pharmacology method was used to preliminarily uncover the molecule mechanism. RESULTS: 574 prescriptions were obtained from 96,606 classical prescriptions with the key words to treat "Warm diseases (Wenbing)", "Pestilence (Wenyi or Yibing)" or "Epidemic diseases (Shiyi)". Meanwhile, 40 kinds of CMs, 36 CMs-pairs, 6 triple-CMs-groups existed with high frequency among the 574 prescriptions. Additionally, the key targets of SARS-COV-2, namely 3CL hydrolase (Mpro) and angiotensin-converting enzyme 2(ACE2), were used to dock the main ingredients from the 40 kinds by the LigandFitDock method. A total of 66 compounds components with higher frequency were docked with the COVID-19 targets, which were distributed in 26 kinds of CMs, among which Gancao (Glycyrrhizae Radix Et Rhizoma), HuangQin (Scutellariae Radix), Dahuang (Rhei Radix Et Rhizome) and Chaihu (Bupleuri Radix) contain more potential compounds. Network pharmacology results showed that Gancao (Glycyrrhizae Radix Et Rhizoma) and HuangQin (Scutellariae Radix) CMs-pairs could also interact with the targets involving in immune and inflammation diseases. CONCLUSIONS: These results we obtained probably provided potential candidate CMs formulas or active ingredients to overcome COVID-19. Prospectively, animal experiment and rigorous clinic studies are needed to confirm the potential preventive and treat effect of these CMs and compounds.

[The research of virtual hepatectomy].

OBJECTIVE: To investigate the methodology of mimic resection system on liver. METHODS: Hepatic arteries, portal vein, inferior cava vein, hepatic veins and biliary ducts of liver with integrate hepatic portal were perfused with filling materials in different colors. And then the sample was embedded, frozen and slice-cut to obtain serial sectional images. After image registration and segmentation, the 3D reconstruction model which contained the liver's surface and its internal structures was constructed with MIMICS 9.0. Based on the freeform modeling system and its accessories (the software GHOST and the force-feedback equipment PHANTOM), the virtual hepatectomy system was established which could manipulate the virtual scalpel to perform optional resection on virtual liver model. RESULTS: After slice-cutting the cast liver, 910 serial cross-section images were obtained sharply and clearly. The 3D reconstructed liver model looked like the liver sample exactly, and could be magnified, contracted and rotated. In the virtual surgery system with good interaction, powerful immersion and great imagination, the virtual scalpel could be manipulated to perform optional resection on 3D liver model with the haptic device (PHANTOM). CONCLUSIONS: The 3D visualized liver and the virtual hepatectomy system has been satisfactorily developed using the hepatic serial sectional images. The process of simulation operation was consistent with clinical practice.

[Studies on the hepatic three-dimensional reconstruction and virtual surgery using the hepatic images of the digitized virtual Chinese human female number 1 database].

OBJECTIVE: To study digitized virtual hepatic three-dimensional reconstruction and virtual hepatic surgery. METHODS: The whole series of hepatic images taken from the database of digitized Virtual Chinese Human Female Number 1 (VCH-F1) was employed to reconstruct a three-dimensional (3D) liver. First, studied some algorithms for registration of human liver tissue images, and then, segmented the regions of liver, vein, bile duct, and gallbladder from the images. Based on them, the 3D visualization human liver model was reconstructed. Finally, a 3D visualization demo system of liver was developed based on personal computer and Windows operation system. RESULTS: This demo system of liver provided a graphics user interface to rotate, scale the 3D liver to observe the 3D hepatic structure, and a virtual liver simulation system of resection with primary function. CONCLUSIONS: The study may be beneficial to the future research on digitized virtual hepatic and virtual hepatic surgery, and the 3D visualization demo system of liver may be beneficial to the research on the hepatic structure.

[The study of pancreas three-dimensional reconstruction based on the Virtual Chinese Human-Female No 1].

OBJECTIVE: To study the three-dimensional (3D) reconstruction and 3D visualization of the pancreas and create anatomy of the digitalized visual pancreas so as to construct a concrete basis for virtual operation and surgical operation on pancreas. METHODS: The digital imaging data of pancreas, duodenum, common bile duct, arteries and veins were obtained from the Virtual Chinese Human-Female 1 (VCH-F1) and processed using ACDSee and Photoshop so as to reconstruct 3D pancreas digitally and realize 3D visualization of pancreas. RESULTS: We successfully 3D reconstructed and visualized the pancreas and the peri-pancreatic structures: the duodenum, the common bile duct, the inferior vena cava, the portal vein vessels, the aorta, the ceoliac trunk vessels. The 3D and visualized pancreas manifested itself with its complete structure as well as its adjacency to other tissues. CONCLUSIONS: The 3D reconstruction and 3D visualization of the pancreas based on the digital data of VCH-F1 produces a digitally visualized pancreas, which promises us a novel method for virtual operation on pancreas, clinical operation on pancreas and anatomy of 3D visualized pancreas.

[Study of three-dimensional computerized reconstruction and CT scanning with thin slice after filling hepatic duct system].

OBJECTIVE: To establish the modal of perfusing and casting in hepatic duct system and explore the methods of three dimensional reconstruction with CT scanning image after filling hepatic duct. METHODS: All canal of livers with integral porta hepatic were perfused with various filling material after pretreatment, then fixed and casted. Hepatic preparations that had been perfused were put into the model of modelling abdominal cavity and scanned with thin slice. The three dimensional duct structures of hepatic with three methods of MIP, SSD and computerized treatment. RESULTS: Fourteen hepatic samples were filled and casted. Nine hepatic samples were scanned with slice height 1.0 mm, all 2514 slice images and average 279 images. Five hepatic samples were scanned with slice height 3.0 mm, all 512 slice images and average 102 images. Intrahepatic vein and portal vein system of three dimensional reconstruction were seen clearly with MIP method. The three dimensional established three dimensional images with SSD method was shown much stronger than that of MIP method. The three dimensional images of hepatic solid and hepatic vein system were established with method of comperized treatment. Vary three dimensional shape of hepatic solid and hepatic vein was obtained through different direction rotational. CONCLUSIONS: The modal filled and casted hepatic duct system were practise. The images established three dimensional with methods of MIP, SSD and comperized treatment were seen clearly. The modal and images of thin slice CT scanning are a better method for researching hepatic duct system.