Chemical Characterisation, Antidiabetic, Antibacterial, and In Silico Studies for Different Extracts of Haloxylon stocksii (Boiss.) Benth: A Promising Halophyte

The objective of the study is to evaluate the chemical characterisation, and biological and in silico potential of Haloxylon stocksii (Boiss.) Benth, an important halophyte commonly used in traditional medicine. The research focuses on the roots and aerial parts of the plant and extracts them using two solvents: methanol and dichloromethane. Chemical characterisation of the extracts was carried out using total phenolic contents quantification, GC-MS analysis, and LC-MS screening. The results exhibited that the aerial parts of the plant have significantly higher total phenolic content than the roots. The GC-MS and LC-MS analysis of the plant extracts revealed the identification of 18 bioactive compounds in each. The biological evaluation was performed using antioxidant, antibacterial, and in vitro antidiabetic assays. The results exhibited that the aerial parts of the plant have higher antioxidant and in vitro antidiabetic activity than the roots. Additionally, the aerial parts of the plant were most effective against Gram-positive bacteria. Molecular docking was done to evaluate the binding affinity (BA) of the bioactive compounds characterised by GC-MS with diabetic enzymes used in the in vitro assay. The results showed that the BA of γ-sitosterol was better than that of acarbose, which is used as a standard in the in vitro assay. Overall, this study suggests that the extract from aerial parts of H. stocksii using methanol as a solvent have better potential as a new medicinal plant and can provide a new aspect to develop more potent medications. The research findings contribute to the scientific data of the medicinal properties of Haloxylon stocksii and provide a basis for further evaluation of its potential as a natural remedy

GCMS Analysis In Vitro Antioxidant and Antidiabetic Activity of Oxyria digyna (L.) Hill

Oxyria digyna (mountain sorrel) is an edible and medicinal herb with a wide array of ethnopharmacological uses. A literature review revealed that this species is less explored for its pharmacological efficacy. Methanolic leaf extract of O. digyna was screened for antioxidant potential utilizing “2,2-diphenyl-1-picrylhydrazyl” DPPH and “Hydrogen peroxide” H202 assay, in addition, the antidiabetic potential was evaluated using enzyme alpha-amylase. Further, the bioactive compounds were analyzed through GC/MS and FTIR techniques. The antioxidant results demonstrated that the extract showed strong reducing potential for both DPPH and Hydrogen peroxide assay, plant extract revealed scavenging activity with an IC50 value of 42.55±0.7311 µg/ml for DPPH and an IC50 value of 51.77±1.855 µg/ml for H2O2. Furthermore, O. digyna showed a moderate inhibitory outcome towards alpha-amylase with an IC50 =131.02±1.90 µg/ml while the standard showed an IC50 = of 22.05±3.9 µg/ml. The extract exhibited an enormous amount of total flavonoid and phenolic. Moreover, the FTIR spectrum showed the presence of alcohol, alkanes, alkyne, aldehyde, etc. and the GC/MS study reveals the presence of sixty compounds. The most prevalent one is 9,12,15- Octadecatrienoic acid (Z, Z, Z) 38.33 %. According to our knowledge, this study is the first to validate its antidiabetic potential and identification of numerous phytoconstituents through GC/MS and identification of several functional groups employing FTIR analysis. The above finding suggests that O. digyna possess a high amount of phenols, and flavonoids, showing significant antioxidant properties, which makes it a promising source of natural antioxidant, also it can be used in food industries and for future drug synthesis. Further, the extract showed potential alpha-amylase inhibition but the potential was less, further, the active biochemical constituent can be isolated and utilized in therapeutic applications

Prediction of Selective Neuroprotective JNK3 Inhibitory Activity of Plumbagin and Its derivatives using Insilico Computational Methods

In the present work, rational approach combining e- pharmacophore modelling and structure based virtual screening was employed on the target JNK3 to identify potential JNK3 inhibitors. The pharmacophore-based approaches are well known for their strength to propose a diverse set of molecules having diverse molecular frameworks but owing to a desired biological activity for one target. The hits were further analyzed and ranked by using dock score, binding energy, ADME parameters and MD simulations. Plumbagin derivatives have shown good potential of binding with the targeted protein as indicated by ΔGbind score. They also possessed desired ADME properties. Thereafter, MD simulation studies were carried out two best docked complexes. Based on the key amino acid residues interactions, molecular dynamics simulation sindicates that the docked complex of 5-Methoxy-2-methyl-(4(trifluoromethyl) benzylamino) naphthalene1, 4-dione and shikonin with JNK3 protein (3OY1) have a good stability in the binding pocket. The significant interaction with residue MET 149 was observed in both molecular docking and molecular dynamics simulations studies. By confirm the binding affinities of the ligand and the accurate interactions, molecular dynamics simulations valid the results of molecular docking. The results showed that the best classified compounds 5-Methoxy- 2-methyl-3-(4(trifluoromethyl)benzylamino) naphthalene1, 4-dione and shikonin with highest docking score and binding affinity and stable hydrogen bond with MET149 and hydrophobic interactions with Met146, Val79, Val145, Leu144, Ala91, Ile92, Ile124, and Leu128. relative to reference compounds. The outcome reveal that this study provides evidence for the consideration of plumbagin derivatives as pontential JNK3 inhibitors. Therefore, reliable computer-aided drug design methods could play an increasingly important role in the future drug discovery process. The Insilico studies results revealed that 5-Methoxy-2-methyl-3-(4 (trifluoromethyl) benzylamino) naphthalene1,4-dione and Shikonin as a potent, selective JNK3 inhibitors. This was found out by screening of generated pharmacophore hypothesis, molecular docking and molecular dynamics study of plumbagin and its derivatives. Further, in vitro evaluation of 5-Methoxy-2-methyl-3-(4-(trifluoromethyl) benzylamino) naphthalene1,4-dione and Shikonin is the futuristic requirement in order to perceive additional activity validation

In-Silico Approaches of Polyphenols and In-Vivo Evaluation of Neuroprotective Effects of Eugenia Jambolana Leaves Extract for Anticholinesterase and Antioxidant Activities

Eugenia jambolana Lam. (Myrtaceae) is widely used in India to treat several ailments in the traditional system of medicine. The present study focused on some use of plant Eujenia jambolna which is experimentally proven with some studies like HPTLC, and animal model. The insilico study was performed to study the neuroprotective effect and the mechanism of these plants, phytoconstituents by using proteins AChE and BuChE, for Methyl gallate, Myricetrin, and Nilocitin and Rivastigmine is used as standard. The central cholinergic system plays an important role in symptoms and sighs of alzheimers. In the present study, Eujenia jambolna leaves extracts was administered orally in two doses 200mg and 400 mg/kg to assess the learning and memory. AlCl₃ was used to induce AD in rat and the study is performed in model Morris water maze. The study proves that the extract has a neuroprotective action proved by decreasing escape latency morris water model, and has a AChE inhibition action which is proved by Ellman’s test. Furthur more studies with isolated bioactives from Eugenia Jambolana and making novel drug delivery formulation for Alzheimers. The HPTLC study report confirmed that it contains 7 to 15 phytoconstituents and by using standard Ascorbic Acid the antioxidant activity of the extract was performed by analyzing the % inhibition by analyzing the area inhibited in DPPH scavenging activity which showed neuroprotective action of the extract. Furthur studies can bring out plant derived drugs with less side effects when compared to existing allopathic drugs. Further studies in future can be carried out to elucidate the other neurotransmitter to evaluate the mechanism of action, clinical studies may for carried out to establish its efficacy in humans

Green Synthesis of Silver Nanoparticles Using Ginger Extract and Its Antioxidant (In Vitro) And Anticancer( Insilico) Study

Herbal drug delivery is limited by poor solubility and bioavailability which can be overcome with suitable nanomaterials that will enhance their pharmacokinetics and performance. Optimization of this green synthesis would support the production of AgNPs with great therapeutic potentials. The present work is focused on discovering a new technique for green synthesis of metal nanoparticles of ginger water and methanolic extracts. The investigated samples were used to evaluate the antioxidant capacity and antimicrobial activity. The present study reveals that to separate and detect gingerol from ginger rhizome, to synthesis, characterize silver nanoparticles (AgNPs) using gingerol, to find out antibacterial activity against P.gingivalis, to screen the antioxidant activities of the AgNPs, to evaluate the anti-inflammatory and anticoagulant activity of AgNp and to find out the binding efficiency of Gingerol against breast cancer target

Halophytic herbs of the Mediterranean basin: an alternative approach to health

Wild native species are usually grown under severe and stressful conditions, while a special category includes halophytic species that are tolerant to high salinity levels. Native halophytes are valuable sources of bioactive molecules whose content is higher in saline than normal conditions, since the adaptation to salinity mechanisms involve apart from changes in physiological functions the biosynthesis of protectant molecules. These compounds include secondary metabolites with several beneficial health effects which have been known since ancient times and used for medicinal purposes. Recent trends in pharmaceutical industry suggest the use of natural compounds as alternative to synthetic ones, with native herbs being strong candidates for this purpose due to their increased and variable content in health promoting compounds. In this review, an introductory section about the importance of native herbs and halophyte species for traditional and modern medicine will be presented. A list of the most important halophytes of the Mediterranean basin will follow, with special focus on their chemical composition and their reported by clinical and ethnopharmacological studies health effects. The review concludes by suggesting future requirements and perspectives for further exploitation of these valuable species within the context of sustainability and climate change.info:eu-repo/semantics/publishedVersio

Isolation, Characterization and Evaluation of Anti-Alzheimer Activity on the Aerial Parts of Oxystelma Esculentum R.Br.

Oxystelma esculentum R.BR.aerial parts was selected for the present research work to investigate the anti-alzheimer activity. First the aerial parts of O.esculentum was sequentially extracted by hot continous percolation method by using solvents such as Hexane, Chloroform, Ethyl acetate and Ethanol. All the extracts were screened for preliminary phytochemical screening to determine the secondary metabolites present in the extract. It was observed that the ethanol extract possess maximam phytoconstituents compared to other extracts, containing glycosides, flavonoids, terpenoids, alkaloids, phytosterol and phenolic compounds. These active constituents possess numerous pharmacological activities. INVITRO ACETYLCHOLINESTERASE INHIBITION ASSAY: All the extracts were investigated for in vitro acetylcholinesterase inhibition assay. It was observed that ethanol extract exhibits good acetylcholinesterase inhibition compared with other extracts with an IC50 value of 38.54. The polyphenolic compounds such as flavonoids, terpenoids, glycosides have inhibitory capacity against acetylcholinesterase similar to that of currently prescribed synthetic drugs. Hence ethanol extract was considered as an active extract and subjected for in vivo anti-alzheimer activity and for isolation of compounds by column chromatography. ACUTE TOXICITY STUDY: The ethanol extract was found to be non toxic and safe upto the dose of 2000mg/kg body weight. The LD50 value is expected to increase the dose level above 2000mg/kg. From this 1/10 th(200mg/kg) and 1/5th(400mg/kg) was selected for in vivo studies. In vivo anti Alzheimer activity of ethanol extract of O.esculentum. In vivo anti Alzheimer activity was investigated by evaluating the ethanol extract against Y Maze, Open feild and Traction test method.The treatment of 200mg/kg and 400mg/kg of ethanol extract of O.esculentum showed a significant increase in (p<0.001) spantaneous alterations and improve the memory and learning ability in mice. In open feild method, ethanol extract of O.esculentum at 200mg/kg and 400mg/kg exhibited a significant increasing effect on number of crossings and number of rearings compared to scopolamine group. The high dose of 400mg/kg of extract exhibited a better exploratory behaviour in mice in number of crossings. In traction, the administration of O.esculentum has shown a significant effect on enhancing the motor co-ordination and balancing ability in mice. At 400mg/kg of ethanol extract of O.esculentum exhibits significant (p<0.001) spending more time balancing ability compared to scopolamine induced group. Biochemical estimation The administration of scopolamine induces oxidative damage in animals MDA level increases significantly in the mice of group rearing scopolamine. The level of MDA significantly decrease in the group of animal that received the treatments with the dose of ethanol extract of O.esculentum. Treatment of 400mg/kg of ethanol extract of O.esculentum significantly increase the glutathione level p<0.001 Administration of 400mg/kg of ethanol extract significantly increase the level of catalase. Isolation of compound from active extract by Column chromatography. The ethanol extract shows promising effect in both in vitro and in vivo anti Alzheimer activity. Hence ethanol extract was subjected to column chromatography isolation.The ethanol extract was eluted with various solvents by gradient elution technique. The yellow colour band was eluted and collected from the fraction 85-88 in the solvent composition chloroform:methanol. The collected yellow fractions showed a single spot in TLC, UV (254nm,366nm), and in iodine vapour. Hence the fractions were mixed together and designated as V1. The isolated compounds was characterized by UV, FT-IR, 1H-NMR and LC-MS. From the characterization report the isolated compound was determined as Kanokoside D, which is a Iridoid glycoside. Acetylcholinesterase inhibition of Kanokoside D The isolated Kanokoside D was investigated for acetlcholinesterase inhibition assay. It was observed that Kanokoside D has good AchE inhibition with an IC50 value of 135.54 compared with the standard Donepezil has a greater inhibition of 85.89. In silico molecular property and docking study of Kanokoside D The molecular properties of Kanokoside D were calculated by using In silico Molinspiration Cheminformatics tool showed that the Kanokoside D compound slightly violating the Lipinski’s rule of 5 (3 violations). The compound Kanokoside D was docked with two targets Human acetylcholinesterase and β-secretase. The ligand (Kanokoside D) showed a better binding energy -4.38 with that of standard Rivastigmine having -5.82 with the target acetylcholinesterase. The ligand form hydrogen bond interaction with Asparagine 230, leucine 305 and glutamic acid 306. The molecular docking study of Kanokoside D against β-secretase shows a better binding energy of 6.82 k cal than the standard Rivastigmine having -4.67 k cal. The ligand showing hydrogen bond interactions with Alanine 157, Valine 361, histidine 360, cysteine 359 and valine 170. It clearly indicates that Kanokoside D shows potential role in AD. CONCLUSION: Ethanolic extract of O.esculentum shows promising role in anti-alzheimer activity by evaluating against scopolamine induced amnesia. The phytochemical constituents in the ethanol extract may be responsible for the decrease in neurotoxcity in mice.The Kanokoside D an iridoid glycoside, first isolated from the plant and have a role in inhibition of neurotoxcity and improvement of memory in mice

Phytochemical Investigation and Evaluation of Antiatherogenic & Antioxidant Activities of Cordia Obliqua in Wistar Rat Fed with High Fat Diet

The present study was clearly indicated ethanolic extract of Cordia obliqua showed strong antioxidant activity when compared with pet. ether and ethyl acetate extracts. Therefore, further investigations need to be carried out to isolate and identify the antioxidant compounds present in the ethanolic plant extract

Anti-Tumor Potential of Seed Kernels of caesalpinia bonducella extracts and Isolated Phytoconstituents: In Vitro and In Silico Analysis

Although there are several allopathic drugs available, many people still rely on nature that has blessed the human species with abundant herbs. The occurrence of cervical cancer is still increasing worldwide. In India, cervical cancer contributes to approximately 6–29% of all cancers in women. It is estimated that cervical cancer will occur in approximately 1 in 53 Indian women during their lifetime. Apart from HPV Vaccine (human papillomavirus vaccine) the standard drugs used for treatment are cisplatin, carboplatin, etc. Although with the advent of new synthetic drugs, the side effects (tolerable or severe) on chronic use have led us to look for effective drugs with less or no side effects. Therefore, there is an attempt to evaluate the traditional claims of Caesalpinia bonducella seed kernels for the treatment of cervical cancer. The review on literature showed other works have been done on this plant but still activity against cervical cancer has not been reported so far. The project entitled Anti-tumor potential of seed kernels of Caesalpinia bonducella(Fabaceae)extracts and isolated phytoconstituents: in vitro and in silico analysis has been achieved with the following results. Macroscopical studies states the characteristic features of Caesalpinia bonducella seeds such as globular shape, characteristic odour, green in colour and other morphological characters has been well studied and established. Microscopic investigations are the diagnostic features and its powder analysis helps to distinguish this particular plant (leaves) in whole form and in crude powder form. Microscopical analysis in Caesalpinia bonducella showed the presence of schlerenchymatous fibres, Starch grains, Parenchyma cells, Oil Globules, Stone cells and calcium oxalate crystals. The above findings help to bring the identity determined the leaves by both morphology and anatomy. Various physicochemical constants were determined for the seeds of Caesalpinia bonducella such as Ash values, Extractive values and loss on drying. This helps in confirming the identity and purity of this plant and to detect adulterants and its nature. The phytochemical studies on the seeds of Caesalpinia bonducella were carried out to bring its importance as a valuable medicinal plant. The total methanolic extract was carried out using Hot continuous extraction apparatus. The percentage yield of methanolic extract was 8.3% w/w. The extract was subjected to preliminary phytochemical screening which revealed the presence of Flavonoids, Phenols, Saponins, Terpenoids, Alkaloids, Cardiac Glycosides and Tannins. Quantification of phytoconstituents was done for flavonoids and phenolic compounds by UV spectroscopy method. The obtained extract was enriched in flavonoid content by removing all other phytochemicals present in it by partition chromatography. Phytochemical screening of the enriched extract revealed the presence of Flavonoids, Phenols and Cardiac glycosides. Also, the methanolic extract was subjected to column chromatography which resulted in the isolation of compounds Quercetin and Kaempferol which was confirmed in the later stage by FT-IR and Mass spectroscopy. Thin Layer Chromatography was performed for the enriched extract and both the isolated compounds. In vitro pharmacological studies, MTT assay on HeLa cells against cervical cancer cell lines were performed for the enriched extract to find out the anti-cancer activity. Also it has been tested for Anti-bacterial and Anti-fungal activity. In silico docking analysis were performed on CDK 6 enzyme (1XO2) by the isolated constituents of Caesalpinia bonducella to evaluate the anti-cancer activity using molecular docking analysis. The Insilico studies revealed that both the compounds, Quercetin and Kaempferol, possessed significant binding energy and inhibition constant values. Hence from the studies it can be concluded that the seed kernels of Caesalpinia bonducella possess significant activity against cervical cancer. This investigation has a potential to be developed further into a natural Anti-cancer drug. Further detailed studies on more flavonoids and especially Homo isoflavonoids (HIFs) which is a part not much explored by many has to be studied