In silico, ADMET and Docking Analysis for the Compounds of Chloroform Extract of Tinospora cardifolia (Wild.) Identified by GC-MS and Spectral Analysis for Antidiabetic and Anti-Inflammatory Activity

The present study was aimed to phytochemical and GC-MS analysis for chloroform extract of Tinospora cardifolia. The structure of the compounds was further confirmed by UV-spectroscopy and FTIR study. The in silico study like molecular, physico-chemical and drug likeliness property was carried out by computational approaches for the identified molecules. Further toxicity potential and pharmacokinetic profile were also determined. The study was carried out using OSIRIS data warrior and Swiss ADME tools. The docking analysis was carried out for the antidiabetic and anti-inflammatory profiles. The compounds were targeted for α-glucosidase, peroxisome proliferator-activated receptor, glucose transporter-1, cyclo-oxygenase-1 & 2 inhibitions. There were around 12 compounds identified by GC-MS analysis. All the compounds exhibited moderate to good drug likeliness and pharmacokinetic potentials. The molecules showed a good bioactivity score against enzyme receptors. The ADMET prediction showed PGP and CYP-inhibitory effects with the least toxic profile. The docking analysis showed strong binding affinity of [1S-(1α,3aα,4α,6aα)]-1H,3H-furo[3,4-c]furan tetrahydrophenyl (molecule-7) on targeted proteins under investigation.

Antiadhesion and antibiofilm potential of Fagonia indica from Cholistan desert against clinical multidrug resistant bacteria

High resistance to antimicrobials is associated with biofilm formation responsible for infectious microbes to withstand severe conditions. Therefore, new alternatives are necessary as biofilm inhibitors to control infections. In this study, the antimicrobial and antibiofilm activities of Fagonia indica extracts were evaluated against MDR clinical isolates. The extract exhibited its antibiofilm effect by altering adherence and disintegration of bacterial cell wall. Fagonia indica has antibacterial effect as minimum inhibitory concentration (MIC) values ranging from 125 to 500 µg mL-1 and minimum bactericidal concentration (MBC) value was 500-3000 µg mL-1 against multidrug resistant (MDR) clinical isolates. The extract exhibited its antibiofilm effect by altering adherence and disintegration of bacterial cell wall. Fagonia indica had antibacterial effect as minimum inhibitory concentration (MIC) values ranging from 125 to 500 µg mL-1 and minimum bactericidal concentration (MBC) value was 500-3000 µg mL-1 against MDR isolates. The maximum inhibitory effects of Fagonia indica chloroform extract on biofilm formation was observed on Staphylococcus aureus (71.84%) followed by Klebsiella pneumoniae (70.83%) after 48 hrs showing that inhibition is also time dependent. Our results about bacterial cell protein leakage indicated that MDR isolates treated with chloroform extract of Fagonia indica showed maximum protein leakage of K. pneumoniae (59.14 µg mL-1) followed by S. aureus (56.7 µg mL-1). Cell attachment assays indicated that chloroform extract resulted in a 43.5-53.5% inhibition of cell adherence to a polystyrene surface. Our results revealed that extracts of Fagonia indica significantly inhibited biofilm formation among MDR clinical isolates, therefore, could be applied as antimicrobial agents and cost effective biofilm inhibitor against these MDR isolates.

Comparative chemical profiling of purified and unpurified Strychnos nux-vomica Linn seeds: An attempt to reduce toxic Brucine content

Vishamusthi (Strychnos nux-vomica Linn.), a medicinal plant described as Upavisha (semi-poisonous) group of Ayurvedic Pharmacopoeia of India. Vishamusthi has widely been used and being practiced in several illness namely nervous debility, paralysis, weakness of limbs, sexual weakness, dyspepsia and etc. Ayurveda practices strictly recommend the use of Vishamusthi in therapeutics only after proper shodhana (purificatory procedure) through specific medias such as Gomutra (cow’s urine), Godugdha (cow’s milk), Goghrita (cow’s ghee), and etc. Although various shodhana procedures are recommended in Ayurvedic treatise, but updated scientific researches regarding the shodhana methods are lacking. The present study was undertaken to investigate the physicochemical and phytochemical parameters, quantitative estimation of brucine using cutting edge research tools such as high-performance thin layer chromatography (HPTLC), liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS) analyses of Vishamusthi seeds before and after purification. The remarkable changes have been observed in different physicochemical parameters, HPTLC, HPLC, GC-MS and LC-MS chromatographic profiling before and after shodhana process of Vishamusthi seeds. Quantitative HPLC studies revealed that the process of shodhana resulted in depletion of toxic brucine (chief poisonous constituent of Vishamusthi seeds) reduced to 79.66% in chloroform extract and 64.54% in ethanol extract after shodhana process.

In-vitro Anti-Tuberculosis, Anti-Efflux Pumps and Anti-Biofilm Effects of Crinum Asiaticum Bulbs

Drug resistant tuberculosis remains one of the major challenges associated with treatment and management of tuberculosis (TB) in the public health system and in clinical settings. In 2020, the World Health Organization (WHO) estimated that about 186,772 people died from drug-resistant tuberculosis out of the 500000 reported cases and this is alarming. There is a pressing need from every angle in drug discovery to develop novel compounds that could possess diverse mechanisms of action to tackle drug-resistant tuberculosis. The Crinum asiaticum bulbs extract are used ethno medicinally to treat upper respiratory tract infections and as well as wound healing agent. The aim of this work is to investigate the in-vitro anti-tuberculosis effect of Crinum asiaticum bulbs extracts and to assess the inhibitory properties against bacteria efflux pumps expression and biofilm formation. The results obtained showed that the Crinum asiaticum bulbs extracts (CAE) were effective in inhibiting Mycobacterium smegmatis (NCTC 8159) and Mycobacterium aurum (NCTC 10437) with minimum inhibitory concentration (MIC) of 125 μg/ml and 250 μg/ml against M. smegmatis and M. aurum respectively. The CAE markedly inhibited the efflux pumps of both M. smegmatis and M. aurum from expressing with the chloroform extract producing the greatest inhibition. The CAE (ethanol, methanol, chloroform and hexane) significantly (***ρ˂0.005) inhibited M. smegmatis’ and M. aurum’s biofilm formation in-vitro. Among the various extracts of Crinum asiaticum, the chloroform extract exhibited the greatest inhibition against M. smegmatis and M. aurum biofilm formation with significance levels of ***ρ˂0.005 and ***ρ˂0.005. In conclusion the CAE has anti-tuberculosis effect and could tackle drug resistant TB as exhibited through the anti-efflux and anti-biofilm forming properties of the extract against the selected Mycobacterium species.

Phytochemical analysis of commercially available Spirulina, their activities and Biosynthesis of Nanoparticles

Spirulina is used as dietary supplement in form of capsules and tablets. It is rich in Bioactive molecules and exhibits various activities. Commercially available Spirulina was collected. Extracts were prepared using various polar and non-polar solvents. The extracts were used for qualitative phytochemical analysis and to determine their Anti-Oxidant, Anti-Inflammatory and Anti-Arthritic activity. Phytochemicals like Tannin, Carbohydrates and Glycosides were present in all the extracts, while others were present only in few extracts. Biosynthesis of Nanoparticles was done by using the extract. Chloroform extract and Nanoparticles showed higher Anti-Oxidant activity, Ethanol extract showed higher Anti-Inflammatory activity and Chloroform extract showed higher Anti-Arthritic activity.

Evaluation of Antimicrobial and Anticancer Activities of Selected Medicinal Plants of Himalayas, Pakistan

Medicinal plants are known for their diverse use in the traditional medicine of the Himalayan region of Pakistan. The present study is designed to investigate the anticancer and antimicrobial activities of Prunus cornuta and Quercus semicarpifolia. The anticancer activity was performed using cancerous human cell lines (HepG2, Caco-2, A549, MDA-MB-231, and NCI-H1437 carcinoma cells), while the antimicrobial activity was conducted with the agar-well diffusion method. Furthermore, toxicity studies were performed on alveolar and renal primary epithelial cells. Initially, different extracts were prepared by maceration techniques using n-hexane, chloroform, ethyl acetate, butanol, and methanol. The preliminary phytochemical screening showed the presence of secondary metabolites such as alkaloids, tannins, saponins, flavonoids, glycosides, and quinones. The chloroform extract of P. cornuta (PCC) exhibited significant inhibitory activity against Acinetobacter baumannii (16 mm) and Salmonella enterica (14.5 mm). The A. baumannii and S. enterica strains appeared highly susceptible to n-hexane extract of P. cornuta (PCN) with an antibacterial effect of 15 mm and 15.5 mm, respectively. The results also showed that the methanolic extracts of Quercus semecarpifolia (QSM) exhibited considerable antibacterial inhibitory activity in A. baumannii (18 mm), Escherichia coli (15 mm). The QSN and QSE extracts also showed good inhibition in A. baumannii with a 16 mm zone of inhibition. The Rhizopus oryzae strain has shown remarkable mycelial inhibition by PCM and QSN with 16 mm and 21 mm inhibition, respectively. Furthermore, the extracts of P. cornuta and Q. semicarpifolia exhibited prominent growth inhibition of breast (MDA-MB-231) and lung (A549) carcinoma cells with 19–30% and 22–39% cell viabilities, respectively. The gut cell line survival was also significantly inhibited by Q. semicarpifolia (24–34%). The findings of this study provide valuable information for the future development of new antibacterial and anticancer medicinal agents from P. cornuta and Q. semicarpifolia extracts.

Gas chromatography-Mass spectrometry analysis of bioactive compounds in chloroform extract of Psoralea corylifolia L.

Psoralea corylifolia is the most important medicinal plant which has various secondary metabolites and its leaves are broadly used in many sectors due to its antimicrobial activity. This study aimed to find the bio-active compounds of chloroform extract of P. corylifolia leaves using Perkin-Elmer Gas Chromatography – Mass Spectrometry (GC-MS). The results of GC-MS compounds in the chloroform extract was appropriate to the database of National Institute of Standards and Technology (NIST). GC-MS analysis of chloroform extract of P. corylifolia leaves reveal the presence of bioactive compounds as Hexadecanoic acid, 3-hydroxy-, methyl ester , Hydroxylamine, O-decyl- , 2,4-Di-tert-butylphenol ) Cubenol , Neophytadiene , Phytol , Linoleic acid ethyl esterand 9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)- ) . These bio-active compounds are mainly responsible for various biological activities. Hence, this study will make a good way for the production of various products for curing various disease-causing pathogens by using P. corylifolia leaves.

Chemical and Medicinal Properties of Rauwolfia vomitoria (AFZEL) Harvested from the South Eastern Nigeria

Aim: This work was carried out to evaluate the chemical constituents of the leaf of Rauwolfia vomitoria and to determine the activities of the extract on some selected human pathogens Study Design: The study was designed to characterize the compounds in the extract and to determine their medicinal applications Place and Duration of Study: The work was done at the Department of Chemistry Federal University of Technology Owerri Methodology: Standard assay technique was used to evaluate the phytochemical content of the sample. GC-MS analysis was carried out on the chloroform extract of the sample. The anti microbial activities were determines using the well agar diffusion method Results: The analysis of the components of the leaf extract of Rauwolfia vomitoria Afzel revealed the presence of 34 compounds with their molecular masses molecular weights and structures, all elucidated. The initial phytochemical screening revealed the presence of alkaloids 1.92%, saponins 1.12% , flavonoids 1.15% and cardiac glycosides, the extract showed marked inhibition of the growth of certain human pathogens with inhibition diameters recorded against Klebsiella pnuemonia, 22 mm, Pseudomonas aeruginosa 18 mm,Aspergillis niger 24 mm and Mucor specie 9 mm but was resistant to Streptococcus specie.The extract contain anti cancer,anti-tumuor antioxidant, anti-inflammatory ,cardioprotectives compounds which inludes phytol, Vitamin E, Campestrol, sistosterol, squalene, lupeol and vaccenic acid. Conclusion: Owing to the identified properties of the sample ,Rauwofia vomitoria leaf is excellent ingredient for the treatment of diaeases related to Klebsiella pnuemonia, Pseudomonas aeruginosa Aspergillis niger and Mucor specie and also for the treatment cancer, tumuor, inflammation, arthritis,beingn prostate hyperplasia, fibromyalgia, allergies, coronary heart.

Antioxidant Activity of Total phenols and Flavonoids extracted from Echinops polyceras roots grown in Syria

Free radicals are reactive compounds, their excessive production is considered to be an important cause of oxidative damage in biomolecules causing degenerative diseases. Polyphenols are one of the most important groups of secondary metabolites of plants, which have an antioxidant activity depending on their properties as hydrogen donors. Echinops polyceras Boiss. (Asteraceae) is one of Echinops genus species that spread in Syria, Lebanon, and Palestine. Phytochemicals found in this species leaves have been extracted with gradient polarity solvents, and primary screening of the secondary metabolites was established. The phenolic compounds and flavonoids contents were determined. The free radicals scavenging activity was evaluated for all extracts with DPPH• in a 96-well microplate. The specificity study indicates that ascorbic acid was absent, and reducing sugars were exist in the aqueous extract. The identification tests showed the presence of polyphenols like flavonoids and coumarins. The methanolic extract of the E. polyceras leaves was the most effective scavengers of free radicals (90.22% in 30 min) with phenolic compounds content 682.5 mg GAE/g of dried extract (DE) and flavonoids content 194.5 mg QE/ g DE. The chloroform extract was the least effective as free radical scavenging (60% in 30 min) as the phenolic compounds content was 278.5 mg GAE/g DE and flavonoids content 94 mg QE/ g DE. In conclusion, the phenolic compounds and flavonoids from Echinops polyceras Boiss. are effective in free radicals scavenging and protecting from diseases caused by oxidative stress.

Activity of Chloroformic Extract from Salvia connivens (Lamiales: Lamiaceae) and Its Principal Compounds against Spodoptera frugiperda (Lepidoptera: Noctuidae)

Spodoptera frugiperda (Smith) (Lepidoptera: Noctuidae) is one of the most damaging pests in maize crops. In order to manage it, synthetic insecticides such as diamides, neonicotinoids, and pyrethroids are used, but they present a risk for humans and the environment. Investigations of safer alternatives include the use of natural extracts. Thus, this research evaluated the effects of chloroform extract (CHCl3Sc) (5000, 4000, 2000, 1000, and 500 ppm) on aerial parts of Salvia connivens and of nonanal and pyrocatechol (1000, 600, 400, and 80 ppm) on S. frugiperda mortality, duration of the larva and pupae phases, and pupae weight after 24 h. The second instars of S. frugiperda larvae were fed an artificial diet incorporating the extract and compounds. The CHCl3Sc had insecticidal activity against S. frugiperda, showing an LC50 of 1504 ppm. Insectistatic activity began at 1000 ppm, increasing pupal and larval duration in 7.6 and 1.4 days, respectively. Pyrocatechol and nonanal were found in this extract. The first did not have any significant difference in larval or pupal mortalities. On the other hand, insectistatic activity was shown at 500 ppm, increasing the larval duration by 1.7 days compared with the control. In the case of nonanal, the insecticide activity was LC50 of 200 ppm, and insectistatic activity started at 80 ppm, increasing larval duration by 3.2 days compared with the control and reducing pupal weight by 3.4%. The results show that chloroformic extract had insecticidal and insectistatic activities against S. frugiperda; nonanal was an aldehyde compound present in this extract, which confers insecticidal and insectistatic activities against this pest.