A study of antioxidant and physicochemical stability in antipyretic decoction of traditional Lanna recipe

During the current COVID-19 outbreak, Thai traditional antipyretic recipes and antipyretic herbs have been widely studied. Antipyretic Thai/Lanna herbal decoction for relieving fever in the North consists of Tinospora crispa, Rhinacanthus nasutus, Sauropus androgynus and Alstonia scholaris. This research aimed to study the physical stability, pH, sedimentation, and color of the Lanna antipyretic decoction at 4 degrees C 25 degrees C and 40 degrees C with 75 +or- 5% RH for 7 days. The testing included the Folin Ciocalteu method for quantifying total phenolic content, the aluminium chloride colorimetry for flavonoid content, and the DPPH radical scavenging and ABTS methods for antioxidant activities. The results demonstrated that, for the decoction, the pH values at various temperatures dropped with storage time, the sediment amounts increased with storage time, but its color did not change at 4 degrees C. Its total phenolic and flavonoid contents rose with storage time. The total phenolic contents in mg GAE/g extract at Days 0 and 7 were 161.13 +or- 5.62 and 15.34 +or- 6.21 at 4 degrees C, 160.53 +or- 11.78 and 14.32 +or- 1.13 at 25 degrees C, and 160.09 +or- 7.39 and 12.82 +or- 6.91 at 40 degrees C, respectively;while the flavonoid contents in mgQE/g extract at Days 0 and 7 were 20.32 +or- 0.43 and 7.80 +or- 0.34 at 4 degrees C, 20.10 +or- 0.47 and 7.27 +or- 0.20 at 25 degrees C, and 20.06 +or- 0.55 and 6.63 +or- 0.43 at 40 degrees C, respectively. The decoction's free radical inhibition (IC50) values at 4 degrees C, 25 degrees C and 40 degrees C by DPPH ranged from 14.74 +or- 0.04 to 23.18 +or- 0.72%w/w;and by ABTS the values ranged from 2.63 +or- 0.12 to 3.95 +or- 0.05%w/w. At the storage temperature of 4 degrees C, the decoction showed the best physical stability. Thus, the results can be used in setting up storage guidelines for Thai traditional and folk decoctions to ensue the best stability.

Ukraine's market of certified seed: current state and prospects for the future

The production of high-quality seeds and planting material is the basis for increasing the efficiency and sustainability of crop production. The main aim of this article is to develop proposals to ensure that supply meets the demand in the seed and planting material market Ukraine. The future prospects are also discussed. The paper uses statistical and comparative analysis. The patterns of foreign trade in seeds and planting material to and from Ukraine are analyzed. The high level of import dependence of Ukraine leads to excessive exposure to instability in the world seed market. The development of seed production in Ukraine is discussed and analyzed along with the ways for improving commercial circulation of seeds and planting materials. The export volumes of grains and oilseeds in 2020 were the highest of those over the last three decades and amounted to USD 18.7 million, which is almost twice more than in 2019. Corn seeds dominate in exports (72%). The volume of imports of seeds of grains and oilseeds exceeded exports by 22 times in value and, in 2020, amounted to USD 409.4 million. In the total volume of imports, imports of sunflower seeds accounted for 53%. The upward trend of seed imports has been maintained since 2010. It was the result of increased demand for imported seeds by large- and medium-sized agricultural producers. In 2020, COVID-19 gave impetus to the development of domestic seed production and foreign breeding companies within the country. Prospective ways to accelerate the development of the organization of the Ukrainian seed and planting material market are outlined. Ukraine has prospects for increasing the export of seeds of grains and oilseeds by expanding its production by foreign companies operating in Ukraine. Solving problems of competitiveness seed production in Ukraine will make it possible to strengthen the role of domestic breeding in the seed market, as well as to use the best foreign varieties through their commercial circulation.

A review of the effects of herbal and natural supplement on exercise performance and exercise-induced muscle damage

Background & Aims: Although regular exercise training with appropriate intensity, is considered an essential component of a healthy lifestyle that leads a desirable and beneficial adaptation in the body, however, is also known that exhaustive and strenuous exercises causes oxidative stress, inflammatory response, and structural damage to muscle cells, as well as decline in athletic performance (1). In several studies the exercise-induced muscle damage was indicated indirectly by increased serum creatine kinase (CK), lactate dehydrogenase (LDH), aspartate amino transferase (AST), alanine aminotransferase (ALT), alkaline phosphatase (ALP) and muscle soreness (53). In fact, it is reported that muscle fibers are subject to greater mechanical stress during exhaustive and long-term muscle contraction, which leads to enzymes efflux result from the loss of sarcolemmal integrity (increased permeability and/or breakdown of the membrane surrounding the muscle cell) due to the mechanical stress imposed by the repeated muscle contraction (53). Therefore, there has been much effort to identify appropriate sport supplementation strategies that may help to reduce or prevent exercise-induced muscle damage and stress (2), So that, due to its antioxidant and anti-inflammatory properties, the use of herbal medicines and natural supplements maybe very effective to prevent exercise-induced muscle damage and oxidative stress (3). Indeed, in recent years, there has been growing body of literature examining the possible physiological mechanisms responsible for muscle damage, adaptation, and interventions to reduce the negative effects of damaging exercise. Hence in the present review, in addition to study of possible mechanisms, it has provided the effects of some natural and herbal supplements in sports.

Suppression of stress by aroma: alterations in the expression of brain factors

Stress such as uncertainty about the future, including the problem of new coronavirus infection, is a very serious problem not only for physical health but also for mental health. It is certain that stress is one of the risk factors for developing mental disorders. We have found stress-responsive biomarker (stress marker) candidates through studies on the process from stress to disease onset. Recently, we have been trying to prove the stress-suppressing effect of aroma with brain factors. We analyzed how aroma affects behavioral changes due to stress and the expression of stress marker candidates in the brain. In this article, the data on aroma that we have accumulated so far will be introduced. Specifically, we will describe changes happened in experimental animals when they smelled coffee beans, lavender, cypress, a-pinene, and thyme linalool. When considering the biological effects of aroma, it is inevitable that not only the olfactory pathway but also odor molecules act through the bloodstream by nasal and transdermal absorption. The brain transferability of odor molecules may be a bottleneck in analyzing the biological effects of volatile components. Thus, we would like to discuss on this issue.

Lutein and astaxanthin as dietary support of therapy

Lutein and astaxanthin belong to carotenoids which have wide applications in food, nutraceutical and pharmaceutical industries. The total chemical syntheses of lutein and astaxanthin produces a mixture of stereoisomers. Both carotenoids are extracted from the plant material as the mixture of mono- and diesters. Lutein is extracted from marigold and tagetes flowers. Lutein supplementation increases its concentration in blood serum and in the macula of the eye. There is increasing evidence that lutein is important in the prevention of age-related macular degeneration (AMD) and may improve eye health. Astaxanthin is extracted from the Haematococcus pluvialis algae. Due to its strong antioxidant, anti-inflammatory, and immunomodulatory properties, they can be used to support the treatment of neurodegenerative and cardiovascular diseases, diabetes, eye diseases, and to supplement the diet of COVID-19 patients.

Bioactive compounds from mangosteen (Garcinia mangostana L.) as an antiviral agent via dual inhibitor mechanism against SARSCoV- 2: an in silico approach

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus that causes COVID-19 which is responsible for respiratory illness infection in humans. The virus was first identified in China in 2019 and later spread to other countries worldwide. This study aims to identify the bioactive compounds from mangosteen (Garcinia mangostana L.) as an antiviral agent via dual inhibitor mechanisms against two SARS-CoV-2 proteases through the in silico approach. The three-dimensional structure of various bioactive compounds of mangosteen from the database was examined. Furthermore, all the target compounds were analyzed for drug, antiviral activity prediction, virtual screening, molecular interactions, and threedimensional structure visualization. It aimed to determine the potential of the bioactive compounds from mangosteen that can serve as antiviral agents to fight SARS-CoV-2. Results showed that the bioactive compounds from mangosteen have the prospective to provide antiviral agents that contradict the virus via dual inhibitory mechanisms. In summary, the binding of the various bioactive compounds from mangosteen results in low binding energy and is expected to have the ability to induce any activity of the target protein binding reaction. Therefore, it allows various bioactive compounds from mangosteen to act as dual inhibitory mechanisms for COVID-19 infection.

Investigation of the mechanism of fangfeng tongsheng pills in the treatment COVID-19 by network pharmacology and molecular docking

Objective: To explore the active components and potential mechanism of Fangfeng Tongsheng Pills by using network pharmacology and molecular docking in the treatment of coronavirus disease 19(COVID-19). Methods The main chemical constituents and action targets of various medicines in Fangfeng Tongsheng Pills were collected via traditional Chinese medicine system pharmacology database and online analysis platform(TCMSP). The related targets of COVID-19 were collected by using GeneCards database, and the repeating parts with Fangfeng Tongsheng Pills were taken as the research targets. Cytoscape software was used to create a drug-target-disease network. The common target was imported into STRING database, and the protein-protein interaction network diagram was constructed by Cytoscape software. The GO(gene ontology) function enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG) pathway enrichment analysis were performed by DAVID to predict their mechanism. The core components of Fangfeng Tongsheng Pills were docked with the therapeutic target of COVID-19 by AutoDock software. Results A total of 224 active compounds and 696 active targets were screened from Fangfeng Tongsheng Pills, including 79 targets coincided with COVID-19, and 10 active compounds, i.e. quercetin, luteolin, kaempferol,beta-sitosterol, naringenin, etc., 23 effective targets, i.e. PTGS2, PTGS1, NOS2, F10, DPP4, etc. A total of 65 GO function enrichment analysis results and 101 KEGG pathway enrichment results were obtained, including inflammatory response, tumor necrosis factor(TNF) signaling pathway, hypoxia inducible factor-1(HIF-1) signaling pathway, vascular endothelial growth factors(VEGF) signaling pathway, toll-like receptors(TLRs) signaling pathway, phosphatidylinositol 3-kinase-protein kinase B(PI3K-Akt) signaling pathway, and mitogen-activated protein kinase(MAPK) signaling pathway. Conclusion The active components in Fangfeng Tongsheng Pills, such as beta-sitosterol, quercetin, luteolin, kaempferol and naringenin, can combine with SARS-Co V2-3CL hydrolase and ACE2, act on the key target [TNF, Caspase-3, mitogen-activated protein kinase(MAPK1), interleukin-6(IL-6), prostaglandin-endoperoxide synthase 2(PGTS2)] of TNF, HIF-1, VEGF, MAPK and toll-like receptor signaling pathway, and play the roles of anti-inflammation, immune regulation, anti-hypoxic stress and anti-virus infection, thus play a role in the treatment of COVID-19.

The study of andrographolide contents in different parts of Andrographis paniculata (Burm. f.) Nees at different harvesting periods from Muak Lek, Saraburi

Andrographis paniculata (Burm. f.) Nees (fa thalai chon in Thai) is a medicinal plant that naturally grows in Muak Lek district, Saraburi province. During the flowering stage (mature plant), its andrographolide contents in various parts, from high to low, namely leaves, aerial parts, stems and flowers are 5.11%, 4.90%, 0.68% and 1.90% w/w respectively;and in the pre-flowering stage (young plant) the contents are 3.65%, 2.95% and 1.03% w/w respectively. For the treatment of COVID-19 with Andrographis herbal drug, at the andrographolide dose of 180 mg daily for 5 days, 19.6 g of fresh leaves from the young plant or 14.0 g of fresh leaves from the mature plant should be taken. As for the decoction of aerial parts of the mature plant, 2.5 240-mL glasses should be taken per day. But tea from fresh leaves, which is drunk without the pulp, has a too low andrographolide content to achieve the conventional dose for COVID-19 treatment. The results of this study are useful for the public who want to use their own fresh Andrographis herb to treat COVID-19 by themselves. The proper amount has to be calculated based on the andrographolide content in the formula they use.

Pharmacokinetics and molecular docking study of siddha polyherbal preparation shailam against COVID-19 mutated S gene

COVID-19 is a deadly disease;at the time of the first COVID-19 wave (January 2020 to November 2020), so many deaths were reported worldwide. There were no standard conventional treatments and vaccines, so the whole world turned to traditional medicine. Siddha system of medicine is one of the traditional medicines practiced in the southern part of India. Shailam is a polyherbal formulation (licence no. 1189/25D) which was analyzed by molecular docking, with AutoDockVina software, against SARS-CoV-2 Spike Protein (PDB ID 7DDD). Absorption, distribution, metabolism, and excretion (ADME) properties were also recorded for Shailams phytocompounds using the online SwissADME tool. The results of the molecular docking study showed that the phytocompounds, like Caryophyllene, Aspidospermidin-17-ol, N,N Dibenzylidene-3,3-dichlorobenzidine, Beta-selinene, Curzerene, Germacrene B, Spathulenol, had the highest docking scores: -6.6 Kcal/mol, -8.8 Kcal/mol, -8.7 Kcal/mol, -6.2 Kcal/mol, -6.0 Kcal/mol, -6.6 Kcal/mol, -6.5 Kcal/mol, respectively, and the scores fall within the docking score range of the four standard conventional drugs;Azithromycin, Hydroxychloroquinone, Ivermectin, and Remdesivir which had binding energies of 7.7 Kcal/mol, -5.9 Kcal/mol, -9.2 Kcal/mol, and -7.5 Kcal/mol, respectively. ADME analysis predicted that all of Shailams phytocompounds met four Lipinskis rule of five and have a higher bioavailability score (0.55) as compared to standard conventional drugs, Azithromycin, Hydroxychloroquinone, Ivermectin, and Remdesivir (0.17). Twelve of Shailams phytochemical compounds have high GIT absorption and can cross the blood-brain barrier (BBB). In conclusion, Shailams phytocompounds show a good docking score and ADME property against SARS-CoV-2 Spike Protein (PDB ID 7DDD) as compared to standard conventional drugs.

How the global seed company DLF was affected during three months of lockdown in 2020

This article gives some background information about global seeds company DLF, its links with the International Seed Testing Association (ISTA), and how DLF was affected by the COVID-19 pandemic in the six ISTA accredited laboratories located in different regions of the world.

Essential oils: an effective therapeutic strategy against SARS-CoV-2

Thousands of individuals have perished as a result of Covid-19 and it has turned into a global problem. The novel coronavirus 2019 (nCoV-2019), also known as Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), has spread rapidly following its discovery in Wuhan patients with acute pneumonia in China. No medication or vaccine are available to treat human coronavirus infection successfully. The alternative therapies and cures are not are effective or authorised to treat Corona virus. Treatments are primarily supportive because no particular pandemic cure has been licensed. New interventions will most likely take months to years to mature. Using antiviral medicinal herbs as an auxiliary or supportive therapy seems to be a viable alternative. The essential oils of medicinal plants have antiviral and immunomodulatory effects. Being rich in antioxidants, essential oils can be used to develop new antiviral remedies. Such beneficial essential oils are being evaluated and exploited for its potent therapeutic use against many viruses. These natural compounds bestow antiviral actions by disrupting the viral life cycle during viral entry, assembly, replication, discharge and virus-specific host targets. This study highlights the essential oils derived from medicinal and aromatic plants with in vitro and in vivo antiviral effects. Essential oils having known pharmacokinetic and pharmacodynamic properties can be repurposed as a strategy against deadly SARS-CoV-2 infection. These essential oils of herbal plants can be an effective therapeutic strategy against SARS-CoV-2 when used along with conventional antiviral medicines.

Study on the mechanism of Lianhua Qingwen capsule absorbed components in prevention and treatment of COVID-19 by intervening on cytokines storm based on network pharmacology and molecular docking

To analyze the possible mechanism of the intervention of absorbed components of Lianhua Qingwen Capsule on COVID-19 from the perspective of cytokine storm based on network pharmacology and molecular docking. Through literature mining, the components of Lianhua Qingwen capsules into blood were determined, and the related action targets of the components were searched by TCMSP and BATMAN-TCM databases. The related targets of COVID-19 and cytokine storm were screened by GeneCards, OMIM and Drugbank databases. The protein interaction PPI network was constructed through String database. DAVID database was used for GO analysis and KEGG pathway analysis. Cytoscape 3.8.0 software was used to build the network diagram. Molecular docking was performed by AutoDock software.In addition, multiple organ tissue injury, immune injury and SARS related targets were retrieved and intersected with cytokine storm.A total of 17 absorbed components of Lianhua Qingwen Capsules were collected, 237 corresponding targets and 47 targets intersected with diseases obtained, and 22 core targets screened out.GO analysis and KEGG pathway analysis presented 174 entries and 83 entries respectively (P < 0.01). The molecular docking results showed that the compounds of Emodin, Formononetin, Rutin, Gallic acid, Liquiritigenin had good binding ability with the core target of AKT1, IL-6, TP53, JUN, TNF. The proportion of intersecting target of Lianhua Qingwen Capsule and multiple organ tissue injury and immune injury was 1.6%-2.0%, and the proportion of intersecting target and SARS was 4.3%. Absorbed components of Lianhua Qingwen Capsule could effectively prevent and treat COVID-19 by intervening cytokine storm through multi-component, multi-target and multi-pathway synergistic action, and its mechanism may be related to antigen-scavenging, immune-regulating and tissue and organ protection.

Molecular docking, molecular dynamic and drug-likeness studies of natural flavonoids as inhibitors for SARS-CoV-2 main protease (Mpro). (COVID-19 dedicated issue.)

The emergence of the global pandemic COVID-19 lead to a huge demand for the therapeutic agent to combat the disease. Since the FDA approval of some of HIV-1 main protease inhibitors such as ritonavir lopinavir to treat COVID-19, the investigation of anti-HIV inhibitor to inhibit SARS-CoV-2 main protease (Mpro) is getting considerably much attention. This study evaluates the potency of sixteen selected natural flavonoids which were previously reported active to block HIV-1 protease as potential inhibitors of SARS-CoV-2 Mpro. The molecular docking and dynamic study were completed to know the binding affinity and stability of the protein-ligand complex via docking study along with molecular dynamic simulations. Moreover, drug-likeness was also evaluated through via ADMET evaluation. This study revealed robinin (6), a flavonol molecule with linked to galactose-rhamnose at C3 and rhamnose molecule at C7, exhibited the highest binding affinity (-9 kcal/mol) among others. The amino acids that interacted with robinin were Asn142;Gly143;Arg188;Thr190. The binding affinity of robinin surpassed the binding affinity of ritonavir (-7.7 kcal/mol) and lopinavir (-8.2 kcal/mol). The replacement of the hydroxyl group from the flavonoid skeleton at C-7, C-4' was proposed to affect the binding affinity. The free hydroxyl group particularly in A ring and the position of the hydroxyl group were important to improve the binding affinity. The molecular dynamic simulation showed the stability of Mpro-robinin during the simulation period. The ADME evaluation referring to Lipinski's rule of 5 revealed that the flavonoids (2,5,6,9,10,13,14,15) show low oral bioavailability and absorption. Robinin exhibited a good drug-likeness score (value:1) with an unconcerned level of acute toxicity. From this study, it was concluded that robinin showed the most potent natural flavonoids studied to inhibit SASR-CoV-2 Mpro by both docking study and ADME/tox properties evaluation.

Bioflavonoids as potential target inhibitors in COVID-19: an in silico analysis. (COVID-19 dedicated issue.)

COVID-19, a respiratory pandemic associated with morbidity and mortality due to the lack of FDA approved drugs for the appropriate preventive or treatment strategies. Repurposed drugs such as antiviral and antimalarials are in clinical trials for the development of novel therapeutic agents for the treatment of SARS-CoV-2 infection. The main protease (Mpro) digests replicase polyprotein to generate non-structural proteins and an endoribonuclease (NendoU), a non-structural protein acts as possible targets because of their prominent role in the replication of SARS-CoV-2. In the current study, the bioflavonoids that passed the Lipinski rule were subjected to in silico molecular docking on SARS-CoV-2 main protease and endoribonuclease using Molegro Virtual Docker v6.0. Molecular dynamic simulation studies (20 ns) were carried out to study protein-ligand complex stability by using Schrodinger, LLC's Maestro Molecular Platform (version 11.8). ADMET properties, target and antiviral potentials were predicted for the top interacting bioflavonoids and significant data were reported. The parameters such as MolDock scores, ReRank scores and interaction poses were predicted for the top interacting phytocompound. In silico analysis showed that hesperetin and malvidin bind effectively at the active site of Mpro and NendoU with a MolDock score of -100.78 and -86.51 respectively. Molecular dynamic simulations have shown that the protein-ligand complex was stable and exhibits good binding interactions with various amino acids. MM-GBSA studies showed -52.51..5.01 and -22.80..3.04 free binding energies for hesperetin and malvidin respectively. The current research created a new perspective in understanding hesperetin and malvidin as potent Mpro and NendoU inhibitors, and further research may confirm their therapeutic potentials in COVID-19.

Syzygium aromaticum as a possible source of SARS-CoV-2 main protease inhibitors: evidence from a computational investigation

SARS-CoV-2, a new and fast circulating coronavirus strain, infected over 214 countries and territories worldwide and caused global health emergencies. The absence of appropriate medicines and vaccinations has further complicated the condition. SARS-CoV-2 main protease (Mpro) is crucial for its propagation, and it is considered a striking target. This study used several computational approaches to determine the probable antagonist of SARS-CoV-2 Mpro from bioactive phytochemicals of Syzygium aromaticum. A total of 20 compounds were screened through in silico approach. The molecular dynamics simulation studies were then carried out for further insights. We found crategolic acid, oleanolic acid, and kaempferol have considerable binding affinity and important molecular contacts with catalytic pocket residues, His41-Cys145. The pharmacological properties through ADMET analysis also showed that these compounds could be used as safe drug candidates. The molecular dynamics simulation study further confirmed these compound's stability with Mpro. However, further detailed in-vitro and in-vivo analyses are compulsory to evaluate the real potentiality of identified compounds.

In silico molecular docking and molecular dynamics examination of Andrographis paniculata compounds of andrographolide, neoandrographolide, and 5-hydroxy-7,8,2',3'-tetramethoxyflavone inhibition activity to SARS-CoV-2 main protease

In this work, Andrographis paniculata compounds of Andrographolide, Neoandrographolide, and 5-hydroxy-7,8,2',3'-tetramethoxyflavone inhibition activity to SARS CoV-2 main protease were examined through in silico molecular docking and molecular dynamics simulation, with Remdesivir as control ligand. Docking score and MMGBSA were examined as well as molecular dynamics parameters: RMSD, RMSF and Protein ligand contact fraction. Our study found that Andrographis paniculata compounds of Andrographolide, Neoandrographolide, and 5-hydroxy-7,8,2',3'-tetramethoxyflavone have comparable inhibition activity to SARS CoV-2 main protease in comparison to Remdesivir. 5-hydroxy7,8,2',3'-tetramethoxyflavone has the lowest docking score, which was further validated by protein ligand contact fraction examination, although MMGBSA score is lowest for Remdesivir.

In-silico ADMET predicated pharmacoinformatics of quercetin-3-galactoside, polyphenolic compound from Azadirachta indica, a sacred tree from hill temple in Alagarkovil reserve forest, eastern Ghats, India

Quercetin (3,3',4',5,7-Pentahydroxyflavone) is the one among the bioactive secondary metabolite (BASM) in neem seed of Azadirachta indica A. Juss. Quercetin (Que) and its derivatives hold promising pharmacological effects. Antidiabetic, anti-inflammatory, antioxidant, antimicrobial, anti-Alzheimer's, antiarthritic, cardiovascular, and wound-healing effects of Que have been extensively investigated, recently lot of work has been carried out on its anticancer activity against different cancer cell lines. Recently, in silico/in vitro studies have demonstrated that Que interferes with different stages of coronavirus entry and replication cycle (PLpro, 3CLpro, and NTPase/helicase). Due to its pleiotropic effects in human health and disease and lack of systemic toxicity, Que and its derivatives could be tested for their efficacy on human target system in future clinical trials. In the present study, an attempt has been made to evaluate the physicochemical, druggable properties of Que from A. indica to prospect its ADMET properties.