Computer Automated Prediction of Potential Therapeutic and Toxicity Protein Targets of Bioactive Compounds from Chinese Medicinal Plants

2002 ◽  
Vol 30 (01) ◽  
pp. 139-154 ◽  
Author(s):  
Y. Z. Chen ◽  
C. Y. Ung

Understanding the molecular mechanism and pharmacology of bioactive compounds from Chinese medicinal plants (CMP) is important in facilitating scientific evaluation of novel therapeutic approaches in traditional Chinese medicine. It is also of significance in new drug development based on the mechanism of Chinese medicine. A key step towards this task is the determination of the therapeutic and toxicity protein targets of CMP compounds. In this work, newly developed computer software INVDOCK is used for automated identification of potential therapeutic and toxicity targets of several bioactive compounds isolated from Chinese medicinal plants. This software searches a protein database to find proteins to which a CMP compound can bind or weakly bind. INVDOCK results on three CMP compounds (allicin, catechin and camptotecin) show that 60% of computer-identified potential therapeutic protein targets and 27% of computer-identified potential toxicity targets have been implicated or confirmed by experiments. This software may potentially be used as a relatively fast-speed and low-cost tool for facilitating the study of molecular mechanism and pharmacology of bioactive compounds from Chinese medicinal plants and natural products from other sources.

Crisis ◽  
2016 ◽  
Vol 37 (2) ◽  
pp. 140-147 ◽  
Author(s):  
Michael J. Egnoto ◽  
Darrin J. Griffin

Abstract. Background: Identifying precursors that will aid in the discovery of individuals who may harm themselves or others has long been a focus of scholarly research. Aim: This work set out to determine if it is possible to use the legacy tokens of active shooters and notes left from individuals who completed suicide to uncover signals that foreshadow their behavior. Method: A total of 25 suicide notes and 21 legacy tokens were compared with a sample of over 20,000 student writings for a preliminary computer-assisted text analysis to determine what differences can be coded with existing computer software to better identify students who may commit self-harm or harm to others. Results: The results support that text analysis techniques with the Linguistic Inquiry and Word Count (LIWC) tool are effective for identifying suicidal or homicidal writings as distinct from each other and from a variety of student writings in an automated fashion. Conclusion: Findings indicate support for automated identification of writings that were associated with harm to self, harm to others, and various other student writing products. This work begins to uncover the viability or larger scale, low cost methods of automatic detection for individuals suffering from harmful ideation.


Author(s):  
Bui Thanh Tung ◽  
Nguyen Hong Nhung ◽  
Ta Thi Thu Hang ◽  
Vu Khanh Linh

Hepatitis B is an infectious disease caused by the hepatitis B virus (HBV) which is one of the most serious public health problems in the world. Some common approved drugs bring about dose-dependent adverse effects or drug resistance. Therefore, safe and useful new HBV therapeutics are essential. Medicinal plants have particular benefits to treat HBV-infected patients. Traditional medicines have many bioactive compounds that are effective as antiviral candidates including esculetin, helioxanthin, oxymatrine, epigallocatechin-3-gallate, wogonin, alkaloids, polysaccharides, etc. In this chapter, the authors summarize the pathogenesis and protein targets for the treatment of hepatitis B disease. They also indicate several medicinal plants and isolated compounds which are used for preventing and reduce symptoms of this disease.


1997 ◽  
Vol 25 (02) ◽  
pp. 221-238 ◽  
Author(s):  
Alexandros S. Botsaris

850 Chinese medicinal plants contained in various publications were compared with plants existing in Brazil. The species were classified according to Chinese ethnopharmacological groups, and these were compared to Brazilian ones. According to the principles proposed by the author, 122 species existing in Brazil could be related to the Chinese species (14.35% of the samples). In this comparison, 62.27% of the plants had similar ethnopharmacological use. Comparison between the ethnopharmacological groups showed some similarity in 91.60%. Pharmacological actions disclosed by research also showed concordance with ethnopharmacological uses.


Separations ◽  
2021 ◽  
Vol 8 (10) ◽  
pp. 176
Author(s):  
Ali Sami Dheyab ◽  
Mohd Fadzelly Abu Abu Bakar ◽  
Mohamed Alomar ◽  
Siti Fatimah Sabran ◽  
Ahmad Fathi Muhamad Hanafi ◽  
...  

Deep eutectic solvents (DES) are a mixture of two or more components and are classified as ionic solvents with special properties such as low volatility, high solubility, low melting points, low-cost materials and are less toxic to humans. Using DES has been suggested as an eco-friendly, green method for extraction of bioactive compounds from medicinal plants and are a safe alternative for nutritional, pharmaceutical and various sector applications. Conventional solvent extraction methods present drawbacks such as long extraction period, safety issues, harmful to the environment, costly and large volume of solvents required. The extraction method with DES leads to higher extraction yield and better bioactivity results as compared to the conventional solvents. This review provides a summary of research progress regarding the advantages of using DES to extract bioactive compounds such as phenolic acid, flavonoids, isoflavones, catechins, polysaccharides, curcuminoids, proanthocyanidin, phycocyanin, gingerols, ginsenosides, anthocyanin, xanthone, volatile monoterpenes, tannins, lignin, pectin, rutin, tert-butyl hydroquinone, chlorogenic acids, resveratrol and others, as opposed to using conventional solvents. The bioactivity of the extracts is determined using antioxidant, antibacterial and antitumor activities. Hence, DESs are considered potential green media with selective and efficient properties for extracting bioactive ingredients from medicinal plants.


2016 ◽  
Vol 61 (1) ◽  
pp. 3-17 ◽  
Author(s):  
Lei Yang ◽  
Changqing Yang ◽  
Chenyi Li ◽  
Qing Zhao ◽  
Ling Liu ◽  
...  

2020 ◽  
Author(s):  
Xiaoguang Li

Modern medicine tells us that the human body is an organism composed of heart, lung, liver, kidney, spleen, stomach, brain, nerves, muscles, bones, blood vessels, blood and so on, while traditional Chinese medicine believes that besides these tissues and organs, the human body still has another part of the structure, traditional Chinese medicine calls them Jing Luo and Shu Xue. Jing Luo means the longitudinal line of the human body and the accompanying net, translated into English Meridians and Collaterals. Shu Xue means holes distributed on Jing Luo and outside Jing Luo, because stimulating Shu Xue's position by acupuncture, massage and other methods can cure diseases, so Shu Xue is translated into English acupuncture point, abbreviated as acupoint or point. Meridians and acupoints are the special knowledge of human body structure in traditional Chinese medicine. Traditional Chinese medicine not only draws the distribution map of the meridians and acupoints in the human body, but also has been using them to treat diseases for thousands of years. There are hundreds of these acupoints, stimulating each one by acupuncture, massage or other methods will have a special effect on the human body and can treat various diseases. But what effect does stimulating every acupoint have on the human body so that it can treat various diseases? The discussion of traditional Chinese medicine is vague and incomprehensible, and can not be proved by experiments. According to the author's research for more than 30 years, this paper makes a clear and accurate exposition of the effects on the human body and diseases that can be treated with acupoint massage. These statements can be proved by experiments, so they are believed to be reliable. It is hoped that meridians, acupoints and massage therapy can be incorporated into modern medicine and become a part of modern medicine after being proved by others through experiments. Massaging acupoints can not only treat many diseases that are difficult to be treated with drugs, but also have simple methods and low cost.


2020 ◽  
Vol 26 (5) ◽  
pp. 519-541 ◽  
Author(s):  
Giovanna Ferrentino ◽  
Ksenia Morozova ◽  
Christine Horn ◽  
Matteo Scampicchio

Background: The use of essential oils is receiving increasing attention worldwide, as these oils are good sources of several bioactive compounds. Nowadays essential oils are preferred over synthetic preservatives thanks to their antioxidant and antimicrobial properties. Several studies highlight the beneficial effect of essential oils extracted from medicinal plants to cure human diseases such as hypertension, diabetes, or obesity. However, to preserve their bioactivity, the use of appropriate extraction technologies is required. Method: The present review aims to describe the studies published so far on the essential oils focusing on their sources and chemical composition, the technologies used for their recovery and their application as antioxidants in food products. Results: The review has been structured in three parts. In the first part, the main compounds present in essential oils extracted from medicinal plants have been listed and described. In the second part, the most important technologies used for extraction and distillation, have been presented. In detail, conventional methods have been described and compared with innovative and green technologies. Finally, in the last part, the studies related to the application of essential oils as antioxidants in food products have been reviewed and the main findings discussed in detail. Conclusions: In summary, an overview of the aforementioned subjects is presented by discussing the results of the most recent published studies.


2020 ◽  
Vol 26 ◽  
Author(s):  
Kondeti Ramudu Shanmugam ◽  
Bhasha Shanmugam ◽  
Gangigunta Venkatasubbaiah ◽  
Sahukari Ravi ◽  
Kesireddy Sathyavelu Reddy

Background : Diabetes is a major public health problem in the world. It affects each and every part of the human body and also leads to organ failure. Hence, great progress made in the field of herbal medicine and diabetic research. Objectives: Our review will focus on the effect of bioactive compounds of medicinal plants which are used to treat diabetes in India and other countries. Methods: Information regarding diabetes, oxidative stress, medicinal plants and bioactive compounds were collected from different search engines like Science direct, Springer, Wiley online library, Taylor and francis, Bentham Science, Pubmed and Google scholar. Data was analyzed and summarized in the review. Results and Conclusion: Anti-diabetic drugs that are in use have many side effects on vital organs like heart, liver, kidney and brain. There is an urgent need for alternative medicine to treat diabetes and their disorders. In India and other countries herbal medicine was used to treat diabetes. Many herbal plants have antidiabetic effects. The plants like ginger, phyllanthus, curcumin, aswagandha, aloe, hibiscus and curcuma showed significant anti-hyperglycemic activities in experimental models and humans. The bioactive compounds like Allicin, azadirachtin, cajanin, curcumin, querceitin, gingerol possesses anti-diabetic, antioxidant and other pharmacological properties. This review focuses on the role of bioactive compounds of medicinal plants in prevention and management of diabetes. Conclusion: Moreover, our review suggests that bioactive compounds have the potential therapeutic potential against diabetes. However, further in vitro and in vivo studies are needed to validate these findings.


Author(s):  
Moema S. Santana ◽  
Rute Lopes ◽  
Isabela H. Peron ◽  
Carla R. Cruz ◽  
Ana M. M. Gaspar ◽  
...  

Background: Hepatitis C virus infection is a significant global health burden, which causes acute or chronic hepatitis. The acute hepatitis C is generally asymptomatic and progresses to cure, while persistent infection can progress to chronic liver disease and extrahepatic manifestations. Standard treatment is expensive, poorly tolerated, and has variable sustained virologic responses amongst the different viral genotypes. New therapies involve direct acting antivirals; however, it is also very expensive and may not be accessible for all patients worldwide. In order to provide a complementary approach to the already existing therapies, natural bioactive compounds are investigated as to their several biologic activities, such as direct antiviral properties against hepatitis C, and effects on mitigating chronic progression of the disease, which includes hepatoprotective, antioxidant, anticarcinogenic and anti-inflammatory activities; additionally, these compounds present advantages, as chemical diversity, low cost of production and milder or inexistent side effects. Objective: To present a broad perspective on hepatitis C infection, the chronic disease, and natural compounds with promising anti-HCV activity. Methods: This review consists of a systematic review study about the natural bioactive compounds as a potential therapy for hepatitis C infection. Results: The quest for natural products have yielded compounds with biologic activity, including viral replication inhibition in vitro, demonstrating antiviral activity against hepatitis C. Conclusion: One of the greatest advantages of using natural molecules from plant extracts is the low cost of production, not requiring chemical synthesis, which can lead to less expensive therapies available to low and middle-income countries.


Sign in / Sign up

Export Citation Format

Share Document