Current Chinese Science - Volume 4, Issue 2, 2024
Volume 4, Issue 2, 2024
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A Mini-review on the Chemical Composition, Extraction and Isolation Techniques, and Pharmacological Activity of Rosmarinus officinalis L.
Authors: Xiao Lin, Luo Haimeng, Ji Xiaoyun, Ren Yaoyao, Wu Xianqing and Jiang HezhongRosmarinus officinalis L. belongs to the genus Rosemary in the family Labiatae, which is a perennial evergreen subshrub. It is currently cultivated in certain areas of Yunnan, Guangxi, and Guizhou. At present, in food, cosmetics, healthcare products, and other domains, R. officinalis has a wide range of applications; it has received widespread attention, and is also a hot topic of research today. Using modern spectroscopic techniques, it has been found that the main chemical components of rosemary can be divided into two major groups, including volatile components (essential oils) and non-volatile components (diterpenes, triterpenes, flavonoids, phenolic acids, sterols, etc.). Among them, carnosic acid, carnosol, rosemary phenol, and 1,8-cineole are the main components acting as antioxidants and they are highly regarded. The main methods for extracting the active ingredients of R. officinalis include water distillation, ultrasonic-assisted microwave method, supercritical CO2 extraction method, enzyme-assisted extraction method, and microwaveassisted extraction method. Modern research has shown that rosemary has anti-inflammatory, antioxidant, antibacterial, antiviral, antitumor, hepatoprotective, hypolipidemic, immunomodulatory, antiseptic, and antithrombotic effects, and is widely used in medical applications.
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The Mechanism of Energy Changes That Occur Depending on the Ratio of Force and Speed in The Example of Bicycle Ergometric Testing
Authors: Nedotsuk Yura and Aleksej LaptevIntroduction: For the first time, in the aspect of biophysics, the reasons for the increase in the power of the threshold of anaerobic metabolism developed by the test person during functional diagnostics. Methods: This occurs with an increase in the pedaling frequency with which the specified load on a bicycle ergometer in the range from 40 to 140 rpm (0.73-2.56 m/s) is overcome, have been substantiated. Results: It was determined that the ratio of force and velocity in the studied range of pedaling frequencies (muscle contractile speed) corresponds to the hyperbolic type with displaced axes. Conclusion: At the same time, with an increase in pedaling frequency, power increases in a cubic dependence, and the rate of oxygen consumption by the test subject decreases linearly in the process of overcoming the same fixed-power load set on a bicycle ergometer and vice versa.
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Computer Modeling of the Thoracic Spine in Children: Assessment of the Contribution of Rectified Kyphosis in the Possible Development of Adolescent Idiopathic Scoliosis
Authors: Tainan Medeiros Brandão, Marcelo Greco and Rozilene Maria Cota AroeiraIntroduction: Adolescent Idiopathic Scoliosis is a spinal deformity. Its development can be linked to hypokyphosis in the thoracic region. Objective: The present study proposed to investigate, through the finite element method, the biomechanics of the immature thoracic spine segment T5-T10 in normal and rectified kyphosis under axial load, flexion and extension. Materials and Methods: Intervertebral discs were modeled as hyperelastic material and vertebral bone as elastic linear material. The bone was divided into trabecular and cortical regions. Furthermore, discs were divided into nucleus pulposus and annulus fibrous. Results: Results indicate greater instability of rectified segments with larger strain and displacements, mainly under extension. Conclusion: It was concluded that the rectified model is predisposed to the development of scoliosis since higher deformations and displacements in this condition were observed, going in favor of the assumption that this factor would be one of the causes of Adolescent Idiopathic Scoliosis.
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Computational Approaches Molecular Docking and MD Simulation Establishes the Potential COVID-19 Main Protease Inhibitors from Natural Products
Aim: COVID-19 was classified as a pandemic by the World Health Organization (WHO) on March 11, 2020. No reliable cure, however, was found. To prevent viral replication, complementary therapy with antiviral and antimalarial medications were used. However, due to their synthetic origin, they have a lot of side effects. To overcome this bane natural origin drugs were repositioned. Background: As repositioned drugs do not undergo a pro-long process of pre-clinical trial, hence, they play an excellent role in the spillover of pathogens. The main protease (6LU7) enzyme found in severe acute respiratory syndrome coronavirus-2 (SAR-CoV-2) is essential for viral replication. Thus, it acts as a hotspot in drug discovery. Objective: A molecular docking computational approach was used to determine the ability of the binding contract between the selected 3D-models of COVID-19 protease target and proposed natural compounds pristimerin, amazoquinone, kendomycin, celastrol, 20-epi-isoguesterinol, phenanthrenequinone, taxodione, maytenoquinone, hippeastrine, ammothamnine, 28-hydroxy isoiguesterin, hemanthamine, alisol-B, stigmasterol, β-pinene,and β-sitosterol through Autodock v.1.5.6 software. Methods: The present study is designed to perform in-silico studies using molecular docking (Autodock tool v.1.5.6), Discovery Studio 2017 R2 client, Patch dock, SWISS-ADME prediction, and molecular simulation (Desmond simulation package of Schrodinger) between 6LU7 and natural origin compounds. Results: The results of docking study performed between 6LU7 and compounds pristimerin, amazoquinone, kendomycin, celastrol, 20-epi-isoguesterinol, phenanthrenequinone, taxodione, maytenoquinone, hippeastrine, ammothamnine, 28-hydroxy isoiguesterin, hemanthamine, alisol-B, stigmasterol, β-pinene, and β-sitosterol, showed binding energy as -9.68, -7.34, -5.34, -4.63, -4.24, -4.13, -4.08, -3.85, -3.83, -3.7, -3.6, -3.57, -3.54, -3.39, -3.18, and -3.03 Kcal/mol, respectively. It can be shown that the Pristimerin-6LU7 protein complex was maintained throughout the simulation since the ligand RMSDs varied with a maximum value of 4.2Å during the first 10 ns, followed by more stable interactions for the remaining time of the simulation. Conclusion: The goal of the current work was to find inhibitors for both prophylactic and therapeutic usage in COVID-19 patients.
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Recent Patents for Optical Alignment
Authors: Guo Li and Kun Peng YuBackground: The installation of optical devices is a necessary operation before their use. Therefore, the configuration of the optical system affects the performance of the whole optical system. However, in the process of optical system installation, there are still some technical breakthroughs to be made in order to better carry out optical system installation in the future. Objectives: Through the introduction and discussion of the devices, methods and patent features of optical alignment testing in recent years, some valuable conclusions are summarized, and future research and development are prospected. Methods: The patents of optical system assembly were studied, and the patents and research progress of optical alignment were summarized. Results: With the development of optical technology, optical alignment has become more and more important, so optical alignment is needed to realize the design of optical systems. Conclusion: It is concluded that there is still a large space for the development of optical alignment, and the main development trend is towards high precision and large caliber.
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Exploring the Molecular Mechanisms of Acorus tatarinowii and Ginseng in the Treatment of Autism Spectrum Disorder Based on Network Pharmacology and Molecular Docking
Authors: Weijun Chen, Yan Wu, Yuan Hu, Liuyan Zhu, Lingling Wu, Guannan Bai and Chaochun ZouBackground: Acorus tatarinowii and Ginseng (AT-G) are traditional Chinese herbal medicines extensively utilized in neurological disorders treatment. However, due to the complex components of AT-G and the pathological mechanism of ASD, the mechanisms involved in the treatment of ASD with AT-G remain elusive. Objectives: We explored AT-G potential mechanisms in ASD treatment. Methods: We used the network pharmacology approach to evaluate the beneficial effects of AT-G for ASD, including obtaining the active components of AT-G by the Traditional Chinese Medicine Systems Pharmacology (TCMSP) platform, detecting the potential targets genes associated with ASD of Genecards and DisGenet databases, network analysis, and virtual docking. Results: A total of 26 AT-G components, 130 AT-G targets, and 806 ASD-related genes were identified using the bioinformatics analysis tool, including TCMSP, Genecards, and DisGenet. In the intersection of potential pharmacodynamic targets of AT-G and genes associated with ASD, we identified 41 potential common targets. Then, GO enrichment analysis revealed that the common targets were mainly associated with biological processes (i.e., positive regulation of nitric oxide biosynthetic process, response to xenobiotic stimulus), cellular components (i.e., the presynaptic membrane and postsynaptic membrane), and molecular functions (i.e., RNA polymerase II transcription factor activity, identical protein binding). KEGG pathway analysis found that the common targets were enriched in chemical carcinogenesis - receptor activation, fluid shear stress and atherosclerosis, lipid and atherosclerosis, and IL-17 signaling pathways. In addition, 10 core targets were screened from the PPI network (e.g., TNF, AKT1, PTGS2, IL1B, MMP9, PPARG, IFNG, NOS2, TGFB1, and CASP1). Molecular docking revealed that the common component kaempferol has a high affinity for the four primary disease targets. Conclusion: Our results facilitated the in-depth development of AT-G and their individual components and provided a reference for clinical practice.
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