Α-pinene Research Articles

Unravelling the anti-inflammatory activity of Cyperus rotundus essential oil through gas chromatography-mass spectrometry analysis, network pharmacology, and molecular docking approaches

Cyperus rotundus rhizome is used in the traditional system of medicine to treat various diseases. The rhizomes of this plant are traditionally used as medicine for treatments of stomach pain, bowel disorders, and inflammatory pain. The present study aims to characterize the chemical constituents of the C. rotundus rhizomes essential oil (CREO) and to evaluate its possible mechanism of action as an anti-inflammatory agent by an integrative approach of gas chromatography-mass spectrometry (GC-MS), network pharmacology, and molecular docking analysis. The compound-target-disease network revealed cubenol, gamma murolene, cyperotundone, delta selinene, alpha copaene, alpha pinene, and beta caryophyllene are core compounds with higher degree values. Protein-protein interaction analysis revealed IL1B, IL10, IL6, PTGS2, TNF, and STAT3 as hub targets. A total of 1000 biological processes, 142 cellular components, and 241 molecular functional pathways were enriched. Molecular docking analysis revealed that hub compounds and protein targets had strong binding affinity between them. The top two docked poses with the lowest binding energy were identified as PTGS2-Cubenol and IL10-Gamma murolene with binding energies of -7.9 and -7.2 kcal/mol, respectively. A molecular dynamics study revealed that the PTGS2-Cubenol and IL10-Gamma murolene complex had a good amount of deformability. These results demonstrated that CREO can act on numerous proteins and pathways to form a systematic pharmacological network, and they can be considered as a candidate drug for treating inflammatory-related disorders

Can Alpha-Pinene Prevent Methotrexate-Induced Cardiac and Hepatic Damage?

The effects of alpha-pinene (AP), a monoterpenoid, known for its antioxidant, anti-inflammatory, and anti-apoptotic properties, on methotrexate (MTX)-induced cardiac and hepatic damage were investigated in this study. Male Sprague-Dawley rats were divided into Control, Vehicle, AP, MTX, and AP+MTX groups (n=7). AP (50 mg/kg/day, 14 days) was applied subcutaneously in the AP and AP+MTX groups. MTX (20 mg/kg) was injected three days before sacrification. Serum CK-MB, troponin T, ALT, and AST levels, as well as cardiac and hepatic MDA, GSH, caspase-3, and p53 levels, were measured by ELISA. Histological changes in tissues were evaluated by scoring in terms of tissue damage and cellular degeneration parameters after hematoxylin-eosin staining. MTX caused significant increase in serum CK-MB, troponin T, ALT, and AST levels, hepatic and cardiac lipid peroxidation, GSH depletion, and caspase-3 level. However, tissue levels of p53 did not change significantly. MTX-induced histological deterioration was observed in both tissues. These MTX-induced changes were significantly reduced in the AP+MTX group. Present results show that MTX-induced cardiac and hepatic damage is prevented by AP pretreatment. This protection can be attributed to the antioxidant and anti-apoptotic properties of AP. Considering the importance of MTX in cancer treatment, AP appears to have highly promising potential as a cardioprotective and hepatoprotective agent in anti-tumoral therapy.

Comparative Evaluation of the Essential Oil Content of Asteraceae Family Medicinal Plants

Background: The Asteraceae family comprises the largest flowering plant species, which have also been proven to have medicinal value for various illnesses due to the presence of numerous volatile and non-volatile constituents. Objective: The study aims to compare the volatile phytoconstiteunts presence in the essential oils of Asteraceae family plants including Roman Chamomile Oil (Chamaemelum nobile), German Chamomile Oil (Matricaria chamomilla), Davana Oil (Artemisia pallens), Wormwood Oil (Artemisia absinthium), Armoise Oil (Artemisia vulgaris), Tansy Oil (Tanacetum vulgare), Yarrow Oil (Achillea millefolium), Tarragon Oil (Artemisia dracunculus), Tagetes Oil (Tagetes erecta) and Immortelle Absolute Oil (Helichrysum italicum) as simultaneous estimation using the novel methods. Methods: Roman chamomile, German chamomile, davana, wormwood, armoire, tansy, yarrow, tarragon, tagetes, and immortelle absolute oils were extracted by steam distillation from their respective Asteraceae species and carried out the gas chromatography analysis. Results: The result was that GC-MS analysis of selected essential oils contains terpenes and terpenoids in major amounts. Among the detected volatile constituents in crucial oils Methyl Chavicol was found higher 75.63% in Tarragon Oil compared to other constituents followed Neryl acetate (60.25%) found in the immortelle absolute oil, Cis davanone (55.36%) was found in the davana oil, Ocimene (45.58%) in the tagetes oil, α-bisabololoxide B (45.26%) in the German chamomile oil, Beta thujone (50.65%) in the tansy oil, Alpha thujone (40.21%) in the wormwood oil and Camphor (38.65%) in the armoise oil. 1,8-Cineole, Alpha pinene, and Camphene were found in three oils (Wormwood oil, Armoise oil and Yarrow oil) among the selected oils. result: The results revealed the majority of terpenes and terpenoid-natured compounds. Methyl Chavicol (75.634%) was the highest content found in the tarragon oil when compared to the compounds found in the ten Asteraceae essential oils. The compounds such as Neryl acetate (60.251%) werefound in the immortelle absolute oil, Cis davanone (55.3640%) was found in the davana oil, Ocimene (45.5856%) in the tagetes oil, α-bisabololoxide B (45.2655%) in the German chamomile oil, Beta thujone (50.6520%) in the tansy oil, Alpha thujone (40.2150%) in the wormwood oil and Camphor (38.654%) in the armoise oil. 1,8-Cineole, Alpha pinene and Camphene were the compounds found in three of the ten Asteraceae essential oils Conclusion: Finally, we concluded that species from the same family (Asteraceae) were biologically synthesized with different volatile constituents. Hence, each essential oil has a unique biochemical fingerprint. These findings will help the food industry in relation to natural flavoring.

The therapeutic potential and molecular mechanism of Alpha-pinene, Gamma-terpinene, and P-cymene against melanoma cells

The purpose of this study is to investigate the potential anticarcinogenic effects of three phytochemicals, namely Alpha-pinene (AP), Gamma-terpinene (GT), and P-cymene (PC), on melanoma cells (A2058 cell line). Additionally, the study aims to explore the synergistic activities of these phytochemicals with Dacarbazine, a chemotherapy drug. To understand the molecular mechanism involved in apoptosis induction in the A-2058 cell line, it was used AO/EB staining for apoptosis detection and cell cycle analysis, monitored through flow cytometry. It also determined the mRNA expression levels of different apoptosis-regulatory genes, including p53, Bax, NF-kB, Bcl-2, Bcl-xl, and caspase-3. The antitumor activities of these phytochemicals and their combinations were investigated in a subcutaneous mouse tumor model. The tumor diameter was 21.4 ± 1.1 mm in the Dacarbazine treatment group and 42.4 ± 3.1 mm in the control group. The antitumoral activities of AP and PC in the tumor model were similar to those of Dacarbazine. On the other hand, GT exhibited remarkable antitumoral activity, with a 1.75-fold reduction in tumor diameter compared to the Dacarbazine group. When different combinations of phytochemicals and Dacarbazine were used, the GT plus Dacarbazine treatment group was found to have a 3.5-fold reduction in tumor diameter compared to the Dacarbazine group. The tumor diameters in the Dacarbazine, AP plus GT, GT plus Dacarbazine, and AP plus Dacarbazine treatment groups were 21.4 ± 1.1, 7.6 ± 2.2, 8.6 ± 0.5, and 6.2 ± 1.9 mm, respectively.

Alpha-Pinene Decreases the Elevated Levels of Astrogliosis, Pyroptosis, and Autophagy Markers in the Hippocampus Triggered by Kainate in a Rat Model of Temporal Lobe Epilepsy.

The development and progression of temporal lobe epilepsy (TLE) are heavily influenced by inflammation, excessive activation of glial cells, and neuronal cell death. This study aimed to investigate the effects of treatment with alpha-pinene (APN) on pro-and anti-inflammatory cytokine levels, astrogliosis, pyroptosis, and autophagy markers in the hippocampus in a rat model of TLE induced by kainic acid (KA). Male Wistar rats were employed, and TLE was induced by intracerebroventricular injection of KA. APN (50mg/kg) was intraperitoneally administered for 19days, including two weeks before and five days after the administration of KA. After full recovery from anesthesia and KA injection, the seizure-related behavioral expressions were evaluated. On day 19, the hippocampal levels of IL-1β, TNF-α, progranulin, IL-10, ERK1/2, phospho-ERK1/2, NF-κB, GFAP, S100-B, NLRP1, NLRP3, caspase-1, and becline-1 were examined. The results revealed that treatment with APN significantly diminished the heightened levels of IL-1β, TNF-α, progranulin, ERK1/2, and NF-κB and reversed the reduced levels of the anti-inflammatory cytokine, IL-10, in the hippocampus caused by KA. Furthermore, administration of APN significantly reduced the levels of astrogliosis, pyroptosis, and autophagy markers in the hippocampus that were elevated by KA. It can be concluded that treatment with APN for 19days alleviated neuroinflammation by inhibiting ERK1/2 and NF-κB signaling pathways and prevented increases in astrogliosis, pyroptosis, and autophagy markers in the hippocampus in a rat model of TLE.

Alpha-pine self-emulsifying nano formulation attenuates rotenone and trichloroethylene-induced dopaminergic loss

Aim The current investigation’s goals are to pharmacologically evaluate the neurotherapeutic role of the bioactive compound Alpha Pinene (ALP)-loaded Self-emulsifying nano-formulation (SENF) in neurotoxin (Rotenone and the Industrial Solvent Trichloroethylene)- induced dopaminergic loss. It is believed that these models simulate important aspects of the molecular pathogenesis of Parkinson’s disease. Material and Methods The ALP-nano-formulation’s anti-Parkinson’s activity was compared to ALP suspension in Wistar rats after rotenone and trichloro ethylene-induced dopaminergic loss. Neurobehavioral and motor performances were measured on the 14th, 21st, and 28th day in the rotenone model. However, in the trichloroethylene model, it was measured from the 4th to the 8th week. Results Significant neurobehavioral improvement has been found in ALP-SENF treated animals then untreated and animals treated with plain ALP suspension. Furthermore, biochemical tests reveal marked expression of catalase, glutathione, and superoxide dismutase, which significantly combat the (Oxidative stress) OS-induced neurodegeneration. Conclusion The antioxidant effect of ALP-SENF likely includes free radicals neutralization and the activation of enzymes associated with antioxidant activity, leading to the enhancement of neurobehavioral abnormalities caused by rotenone and trichloroethylene.

Synergistic interactions of essential oil components with antibiotics against multidrug-resistant Corynebacterium striatum.

In this study, it was aimed to examine the antibacterial activity of the essential oil components (EOCs), carvacrol (CAR), cinnamaldehyde (CIN), thymol (TH), alpha pinene (α-PN), eucalyptol (EU), limonene (LIM), and the antibiotics, linezolid (LZD), vancomycin (VAN), gentamicin (GEN), ciprofloxacin (CIP), clindamycin (CLN), and penicillin (PEN) against 50 multidrug resistant Corynebacterium striatum strains, and the synergistic interactions of CAR and CIN with the antibiotics against 10 randomly selected Coryne. striatum strains to explore synergistic interactions to determine if their combined use could enhance antibiotic activity and potentially reduce resistance. The activity of the EOCs and the antibiotics against Coryne. striatum strains isolated from clinical specimens, was examined by broth microdilution method. The synergistic interactions of the EOCs with the antibiotics against 10 randomly selected Coryne. striatum strains were determined by checkerboard method. EOCs, CIN, and CAR and antibiotics, LZD, VAN, GEN, CIP, and CLN were detected to have antibacterial activity against Coryne. striatum strains alone and either synergistic interactions were observed in combinations of the antibiotics with EOCs. All Coryne. striatum strains were determined to be susceptible to VAN and LZD and resistant to GEN, PEN, CIP, and CLN. Synergistic interactions were observed in all combinations of antibiotics tested with CAR and CIN.

Absolute Photoionization Cross Section and Dissociative Ionization Pathways of Alpha-Pinene.

The absolute photoionization cross section of the monoterpenoid, alpha-pinene (AP), is presented together with the relative photoionization cross sections of its dissociative fragments for the first time. Experiments are performed via multiplexed vacuum ultraviolet (VUV) synchrotron photoionization (PI) mass spectrometry in the 8.0-11.0 eV energy range. Experimental work is conducted at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Dissociative fragments were identified at m/z 121, 94, 93, 92, and 80. The photoionization cross section for the parent mass at 11.0 eV was determined to be 17±4 Mb with a total ionization cross section of 92±23 Mb at the same photon energy. Experimental appearance energies of dissociative ionization fragments and potential dissociative ionization pathways calculated at the G4 level of theory are presented as well.

Effect of hot air circulation roasting temperature on the sensory property and odor characteristics of cashew nut (Anacardium occidentale L.)

AbstractEffects of hot air circulation roasting temperature on cashew nut sensory and aroma profiles were assessed in this study. Optimal roasting at 130°C for 20 min yielded a uniform, glossy appearance and rapid water loss. Sensory and electronic nose (E‐nose) analyses indicated enhanced sweet, milky, and fatty aromas. Gas chromatography–mass spectrometry identified more than 180 volatile compounds. Roasting at 150°C for 20 min produced a burnt aroma, with a decrease in alkenes and aromatic hydrocarbons and an increase in alkanes, acids, ketones, and pyrazines. Principal component analysis distinguished between 130 and 150°C roasting samples, and key volatile compounds included phenylethanol, 1‐octen‐3‐ol, naphthalene, (−)‐alpha pinene, trans caryophyllene, 2,5‐dimethylpyrazine, 2‐methylbutyr‐aldehyde, heptaldehyde, 2,3,5‐trimethylpyrazine, and n‐octanol. Compared to traditional roasting, hot air circulation roasting offers efficiency, convenience, energy savings, and environmental benefits.Practical applicationsCashew nuts are esteemed as a nutritious treat mainly due to their profound taste and elevated nutrient content. This research explored the influence of applying hot air circulation during the roasting procedure on various aspects of physical and chemical properties, flavor, and energy consumption. By establishing a systematic theoretical model of the process, this work can effectively manipulate the roasting parameters to attain an optimal flavor profile desirable for cashew nuts. Moreover, the efficiency of this novel approach outperforms conventional techniques, offering substantial energy cost savings, and showcasing its virtues of high efficacy, eco‐friendliness, and environmental preservation. The investigation revealed that utilizing hot air circulation leads to cashew nuts possessing a superior gustatory sensation and nutritional profile. Therefore, it can safely be stated that hot air circulation roasting could serve as an exemplary methodology for household nut manufacturing, thereby warranting further consideration of this innovative technique in private nut production.

Biological activities and chemical composition of essential oil isolated from <i>Artemisia herba-alba</i>

<i>Artemisia herba-alba </i>(AHA), known as sheeh in Jordan, is recommended by regional traditional healers for the treatment of a variety of diseases. AHA<i> </i>has been used in folk medicine to treat colds, coughing, bronchitis, intestinal disturbances, diarrhea, neuralgias, arterial hypertension, and diabetes. The objectives of the current study were to identify the chemical compositions of the essential oil extracted from dried leaf powder of AHA cultivated in Jordan and investigate its antibacterial and antioxidant activities. The essential oil was isolated using hydro distillation, and the identification of <i>artemisia herba-alba </i>essential oil <i>(</i>AHEO) composition was performed using validated gas chromatography-mass spectrometry (GC-MS). The antibacterial activity of AHEO was assessed against <i>escherichia coli, pseudomonas aeruginosa, klebsiella pneumonia</i>,<i> </i>and <i>staphylococcus aureus </i>and two clinical isolates (methicillin-resistant <i>staphylococcus aureus</i> and methicillin-resistant <i>staphylococcus</i> <i>epidermidis</i> [MRSE]) using a disc diffusion method, minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC) values, using the micro-dilution broth method. Additionally, antioxidant activities were determined using DPPH and ABTS radical scavenging assays. The results revealed that the yield of AHEO was 4.41% v/w, with nearly 22 identified compounds, constituting approximately 96.80% of the total mass of essential oils. Monoterpenoids was the major compounds (71.90%), with alpha pinene being the major component, accounting for 17.20% of the composition. The total phenolic and flavonoid contents were 43.97 mg GAE/g and 30.11 mg CE/g, respectively. The antibacterial activity of AHEO against MRSE exhibited the highest inhibitory effect, while <i>E.coli</i> showed the highest MBC value. Furthermore, AHEO demonstrated significant antioxidant activity (IC<sub>50=</sub> 64.57 and 34.01 for DPPH and ABTS, respectively). The results indicate that AHEO possess good antioxidant and antibacterial properties, suggesting that they may be used as a supplementary food and antimicrobial agent.

A Novel Approach: Targeting Virulence Factors of Candida albicans with Essential Oil Components.

Focusing on phytochemicals to target the virulence factors of Candida albicans is a promising avenue for novel antifungal compounds. Given the limited prior research on essential oil (EO) components and their specific effects on C. albicans virulence, our study aimed to explore their impact and uncover the underlying mechanisms. We examined the effects on viability, dimorphic transition, biofilm formation, and changes in the expression of critical virulence-related genes. The results showed that Dehydrocostus Lactone, displayed the most potent growth-inhibiting activity with the lowest MIC value, followed by Thymol, and Costunolide. A substantial, dose-dependent decrease in germ tube formation occurred after exposure to sub-inhibitory concentrations of the EO components, with Carvacrol, Dehydrocostus Lactone, and Thymol exerting the most potent inhibitory effects. Across sub-inhibitory concentrations, Alpha Bisabolol consistently showcased the most potent antibiofilm activity followed by lower but significant inhibitory effects with Dehydrocostus Lactone, Thymol, Alpha Pinene, Costunolide, Carvone, and Carvacrol. Alpha Bisabolol, Alpha Pinene and Dehydrocostus Lactone caused almost total downregulation of ACT1 whilst minimal changes occurred in expression of HWP1, SAP4, ALS3 and ECE1. Considering that actin is essential for various cellular processes, including budding, cell shape maintenance, and the formation of filaments in C. albicans, it is a plausible hypothesis that inhibiting ACT1 or disturbing actin's normal functioning could potentially affect the fungus's virulence, which warrants additional research and exploration. This study underscores the potent antifungal and anti-virulence properties of various EO components which effectively cripple C. albicans and reduce its disease-causing ability. This innovative approach holds promise for effective clinical therapies.

The protective effects of alpha-pinene on high glucose-induced oxidative stress and inflammation in HepG2 cells.

Hyperglycemia, a prevalent metabolic condition observed in diabetes, leads to oxidative damage, inflammatory responses, and other consequences. Natural compounds alleviate the adverse impacts of diabetes. We aimed to explore the effects of alpha-pinene (AP) as a monoterpene on oxidative damage and inflammation caused by high glucose (HG) in the human hepatocellular liver carcinoma (HepG2) cell line. The HepG2 cells were subjected to non or HG concentration (50 mM) and treated with or without AP (8, 16, and 32 μg/ml) for 48 hr. The effect of treatments on cellular viability, malondialdehyde (MDA), glutathione (GSH), and activity of anti-oxidant enzymes, including glutathione peroxidase (GPx), catalase (CAT), superoxide dismutase (SOD), was determined. The gene expression levels of nuclear factor-κβ (NF-κB), tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6), and dipeptidyl peptidase-4 (DPP-4) were estimated using quantitative real-time polymerase chain reaction (qRT-PCR). HG exposure significantly increased cell death, MDA formation, and depletion of GSH content and GPx, CAT, and SOD activity (P<0.05). We have also seen a significant induction in NF-κB, TNF-α, IL-6, and DPP-4 gene expression in hepatocytes under HG conditions (P<0.05). Interestingly, co-treatment with AP in a dose-dependent manner improved cell death and altered levels of MDA and GSH, and activity of GPx and CAT (P<0.05). AP could also modulate the gene expression of NF-κB and inflammatory biomarkers dose-dependently (P<0.05). Our findings suggested the protective effect of AP on hepatocytes under HG conditions through attenuating oxidative stress markers and suppression of inflammatory pathways.

Exploring the potent in vitro antiviral activity of Faramir®: A tailored Salvia officinalis extraction utilizing the sequential solvent polarity method

Salvia officinalis, known as Sage, serves as a rich source of natural compounds that exhibit antioxidant, anti-inflammatory activities. Antioxidant activity has been demonstrated to be enhanced when medicinal herbs are extracted using sequential polar solvents, as revealed by previous studies. In this study, we examined the antiviral potential of Sage extract through successive extractions using organic solvents of increasing polarity (hexane, chloroform, ethanol, acetone, methanol, and water). The antiviral effectiveness of the selected extract fraction, Faramir®, was assessed against human immunodeficiency virus using ELISA and MTT assays conducted on Jurkat cells. Moreover, Faramir® antiviral activity was also examined against SARS-CoV-2 and Influenza viruses using the TCID50 assay, employing Vero E6 and MDCK cell lines, respectively. The findings indicated that the inhibitory effects of Faramir® on HIV replication are dependent on the concentration, as demonstrated through serial dilutions (0.25, 0.5, 1, 2, and 4 mg/mL). The highest inhibitory effect was observed at a concentration of 0.25 mg/mL. Furthermore, the TCID50 assay demonstrated that the antiviral activity of Faramir® is time-dependent. The highest level of antiviral activity was observed at the 5-minute mark following treatment. Subsequently, the extract fraction exhibiting the highest antiviral activity (Faramir®) was subjected to analysis using HPLC and GC-MS and found to contain three classes of phenolic molecules, namely flavonoids (such as Apigenin), hydroxylated compounds (including rosmarinic acid), and terpenes (such as alpha pinene). Based on these findings, it is suggested that Faramir® holds great potential as a novel natural therapeutic extract for combating viral infections.

Aroma Chemicals Identification by Sophisticated Technique and Their Role Against Pathogens

Citrus fruits and their essential oils play a vital role in every aspect of human life. Essential oils derived from citrus peel are rich in polyphenols and act as secondary metabolites to treat various diseases and they can be used as insecticide or pesticide. These citrus oil derivatives are much popular in flavour and fragrance industry and FMCG sector. In present research work five variants of citrus fruits; C. aurantium (Narinja), C. hystrix (Gondhoajlebu), C. limon (Lemon), C. limetta (Mosambi) and Citrus reticulata Blanco (Nagur Orange) were selected from different regions of India; Telangana, Andhra Pradesh, Kolkata and Maharashtra. The collected samples were further studied using SPME-GCMS analysis to identify the specific molecules which are not in common. Most identified moleculesthrough GCMS analysis are Limonene, Alpha pinene, Myrcene, Delta-carene, Sabinene etc. Each molecule has a significant aroma and used in many Flavour &amp;amp; Fragrance industry. The chemical molecules identified in Narinja (C. aurantium) citrus fruit are specific and not identified in any of the selected fruits they areBicyclogermacrene, Isopiperitenone, Alpha eudesmol, Beta eudesmol. Antimicrobial activity of five essential oilsreports Narinja oil has potent activity on E. coli, Staphylococcus aureus and Bacillus followed by lemon oil and orange oil on E. coli and Bacillus, Mosambion Bacillus and Gondhorajlebu on E. coli. This data reveals that there aresome specific molecules in C. aurantiumto be considered for further research for their medicinal aspects, as mosquito repellent or in F&amp;amp;F industry.

Alpha-pinene neutralizes cisplatin-induced reproductive toxicity in male rats through activation of Nrf2 pathway.

Testicular toxicity is one of the most important side effects of cisplatin (CP) therapy. Alpha-pinene (AP) is a naturally occurring monoterpene with antioxidant character in plants. Here, we aimed to evaluate the therapeutic activity of AP against CP-induced testicular toxicity by including the nuclear factor erythroid 2-associated factor 2 (Nrf2) pathway in rats. Thirty male rats were divided into 5 groups: control, CP, CP + AP (5 and 10mg/kg) and only AP (10mg/kg). CP was administered intraperitoneally at a dose of 5mg/kg on the first day, followed by three consecutive injections of AP. Serum reproductive hormone levels were evaluated using ELISA kits. Oxidative stress (OS), inflammation, endoplasmic reticulum stress (ERS) and apoptosis markers in testicular tissue were also determined colorimetrically. In addition, how CP affects Nrf2 pathway and the effect of AP on this situation were also addressed. Treatment with CP significantly increased OS, inflammation, ERS and apoptosis in testicular tissue. Administrations of AP resulted in an amelioration of these altered parameters. The mechanism of therapeutic effect of AP appeared to involve induction of Nrf2. Furthermore, these results were also confirmed by histological data. Results suggest that AP can exhibit therapeutic effects against CP-induced testicular toxicity. It can be concluded that AP may be a potential molecule to abolish reproductive toxicity after chemotherapy.

Targeting COVID-19 through active phytochemicals of betel plant by molecular docking

COVID-19 has reached pandemic proportions and is affecting people all across the world. Coronavirus 2 is responsible for causing severe acute respiratory syndrome. The Piper betle L. leaf, sometimes known as betel, has been used medicinally for centuries. The primary purpose of this docking study is to check the efficacy of the phytochemicals of Betel leaf (Piper betle) against COVID-19. Traditionally, it is used as a medicinal plant containing many bioactive constituents, which can be used to develop a drug for COVID-19. We have used molecular docking for the SARS-CoV2 receptor on a complex antibody protein with PDB ID-7BNV and PDB ID-7CM4. Betel leaf (Piper betle) contains various phytochemicals such as Eugenol, Alpha pinene, Alpha terpinene, Beta phellandrene, Terpinolene, Sabinene, Hydroxychavicol, Germacrene D, etc. All this data is collected from the PubChem database. All evaluations were carried out based on molecular docking of docking score of receptor interaction with the ligand. Using ligands, we were able to effectively molecular dock Betel leaf (Piper betle) phytochemicals on the SARS-CoV2 target (Eugenol, Alpha pinene, Alpha terpinene, Beta phellandrene, Terpinolene, Sabinene, Hydroxychavicol, Germacrene D). Based on molecular docking scores, we concluded that all the ligands showed significant activity for both the proteins of SARS-CoV2.

Alpha-pinene moderates memory impairment induced by kainic acid via improving the BDNF/TrkB/CREB signaling pathway in rat hippocampus.

The potential benefits of natural ingredients in the alleviation of neurodegenerative disorders are of great interest. Alpha-pinene (APN) is an essential oil belonging to monoterpenes with multiple beneficial effects. In this study, the possible improving effects of alpha-pinene on memory impairment induced by kainic acid and the underlying molecular mechanisms were examined. Memory impairment was induced by i.c.v. injection of kainic acid (KA) in male Wistar rats. Alpha-pinene (50 mg/kg/day, i.p.) was injected for 21 days, including 14 days before the KA injection and seven days afterward. Spatial working memory and inhibitory avoidance (IA) memory performance were assessed five and even days following KA injection, respectively. The hippocampal protein levels of brain-derived neurotrophic factor (BDNF), tropomyosin-like receptor kinase B (TrkB), cAMP response element binding protein (CREB), and neuronal loss in the CA1 region were also examined. Results revealed that the i.c.v. injection of KA triggered memory impairment, which was notably diminished by alpha-pinene pre-and post-treatment. Histopathological evaluation revealed that alpha-pinene significantly moderated the attenuation in CA1 alive neurons induced by KA injection. Western blotting analysis confirmed that alpha-pinene pre-and post-treatment significantly reversed the KA-induced decreases in the hippocampal levels of BDNF, TrkB, phosphorylated TrkB, CREB, and phosphorylated CREB. These findings suggest that alpha-pinene pre-and post-treatment moderate memory impairment induced by KA by restoring the BDNF/TrkB/CREB signaling pathway in the rat hippocampus.

The Embryotoxicity of Alpha-Pinene to the Early Life Stages of Zebrafish (Danio Rerio Hamilton, 1822)

The Alpha-pinene (AP) is produced by pine trees and other plants. The AP exhibits various biological activities such as the development of antimicrobial and antiviral agents, flavors, fragrances, and fungicidal agents. The toxicity data for AP are limited. This study aimed to determine the embryotoxic effects of AP in zebrafish embryos. 1.5 hpf zebrafish embryos were exposed to different concentrations of AP for 72 hours. The LC50 and EC50 values for AP were determined as 441.360 mg/L and 367.795 mg/L, respectively. The embryos were not much affected by AP until hatching. In addition, AP showed teratogenic effects at high doses (320 and 640 mg/L). Typical lesions were an absence of somite (≤48 hpf), lordosis, yolk sac deformity, tail abnormality, cardiac edema, and eye shrinkage (≤ 72 hpf). However, survival rates of zebrafish embryos in the 20, 40, and 80 mg/L AP groups were greater than 80 % during the exposure period. Very low teratogenicity for zebrafish embryos was observed in the 160 mg/L AP group. The results show virtually no embryotoxicity and teratogenicity at 20 and 40 mg/L AP concentrations. No delay in developmental was also observed. Therefore, AP can be considered a safe compound in the concentrations. Keywords: Alpha-pinene, Embryotoxicity, EC50, LC50, Zebrafish

Theoretical Study of Hydroxylation of α- and β-Pinene by a Cytochrome P450 Monooxygenase Model

Previous studies on biocatalytic transformations of pinenes by cytochrome P450 (CYP) enzymes reveal the formation of different oxygenated products from a single substrate due to the multistate reactivity of CYP and the many reactive sites in the pinene scaffold. Up until now, the detailed mechanism of these biocatalytic transformations of pinenes have not been reported. Hereby, we report a systematic theoretical study of the plausible hydrogen abstraction and hydroxylation reactions of α- and β-pinenes by CYP using the density functional theory (DFT) method. All DFT calculations in this study were based on B3LYP/LAN computational methodology using the Gaussian09 software. We used the B3LYP functional with corrections for dispersive forces, BSSE, and anharmonicity to study the mechanism and thermodynamic properties of these reactions using a bare model (without CYP) and a pinene-CYP model. According to the potential energy surface and Boltzmann distribution for radical conformers, the major reaction products of CYP-catalyzed hydrogen abstraction from β-pinene are the doublet trans (53.4%) and doublet cis (46.1%) radical conformer at delta site. The formation of doublet cis/trans hydroxylated products released a total Gibbs free energy of about 48 kcal/mol. As for alpha pinene, the most stable radicals were trans-doublet (86.4%) and cis-doublet (13.6%) at epsilon sites, and their hydroxylation products released a total of ~50 kcal/mol Gibbs free energy. Our results highlight the likely C-H abstraction and oxygen rebounding sites accounting for the multi-state of CYP (doublet, quartet, and sextet spin states) and the formation of different conformers due to the presence of cis/trans allylic hydrogen in α-pinene and β-pinene molecules.

Alpha-Pinene Exerts Antiseizure Effects by Preventing Oxidative Stress and Apoptosis in the Hippocampus in a Rat Model of Temporal Lobe Epilepsy Induced by Kainate.

Oxidative stress and apoptosis following seizures play pivotal roles in the consequences of repeated seizures. Beneficial effects of alpha-pinene (APN) have been reported in some experimental models of neurodegenerative diseases. However, its neuroprotective efficacy in a rat model of temporal lobe epilepsy (TLE) induced by kainic acid (KA) has remained unexplored. We aimed to explore the possible antiseizure effects of APN pretreatment and underlying molecular mechanisms in a rat model of TLE induced by KA. TLE was induced in male Wistar rats by intracerebroventricular injection of KA. APN at a dose of 50 mg/kg/day was intraperitoneally injected for 2 weeks before induction of TLE. One day after the induction of TLE, behavioral expressions of seizure were recorded and scored using Racine's scale. Furthermore, the hippocampal levels of oxidative stress markers, B-cell lymphoma 2 (Bcl2), BCL2-associated X protein (BAX), and c-Jun N-terminal kinase (JNK) protein levels were also assessed. Histopathological assessment in the hippocampus was performed with Nissl staining 5 days following induction of TLE. The results revealed that APN pretreatment alleviated epileptic seizures, diminished oxidative stress indicators, blocked the mitochondrial apoptotic pathway via decreasing BAX and raising BCL2 protein levels in the hippocampus at least partly through inhibiting JNK activity, and decreased neuronal death in the CA3 and hilus regions. These findings reveal that APN pretreatment mitigates KA-induced seizures by blocking oxidative stress and neuronal damage factors. It can be concluded that APN has a potent potential to be considered an antiseizure medication, but it needs further investigation.