Brenania brieyi (Rubiaceae) root is a medicinal plant, which has been widely used in ethno-medicine due to its antimalarial properties. The study aimed to evaluate the antimalarial potentials of B. brieyi root. Aqueous methanol extract of the roots of Brenania brieyi was prepared using cold maceration and dried in vacuo at 40 °C. The extract was fractionated using solvent-solvent partitioning with different solvents of varying polarity (n-hexane, ethyl acetate and methanol). Phytoconstituents of the extract and fractions were determined using standard procedures while the acute toxicity testing were carried out according to Lorkes method. Curative (8-day) test was employed for the antimalarial activity and the hematological parameters were also determined using standard procedures. Gas chromatography-mass spectroscopy (GC-MS) hyphenated technique was used to investigate volatile compounds present in the n-hexane fraction. Phytoconstituents present includes alkaloids, tannins, flavonoids, glycosides, carbohydrates, saponins while terpenoids is absent. Extracts at 200 and 400 mg/Kg dose levels caused a significant (p<0.05) comparable increase in parasitemia clearance of 86.36 % and 86.52 % respectively as opposed to 83.91 % clearance obtained from the standard (Arthemeter-lumefantrine). Ethyl acetate (87.89 %) and methanol (87.65 %) fractions gave higher clearance than Arthemeter-lumefantrine. The extract and fractions showed sufficient red blood cell restoration and reduction of white blood cell levels post treatment. GC-MS result shows the presence of twenty phyto-compounds, these scientific findings support the traditional use of Brenania brieyi root in management of malaria, for which the plant is known and used for.

Medicinal plants have been used as an alternative in malaria chemotherapy. This study aimed to determine the in vitro inhibitory potentials of the extract and fractions of Brenania brieyi on Lactate Dehydrogenase (LdH), Phospholipase A2 (PLA2), and α-Amylase enzyme extracted from Plasmodium falciparum. Cold maceration and Liquid-Liquid partitioning were used to obtain the extract and fractions respectively, using different solvent of varying polarity. Phytochemical analysis was done using Gas Chromatography-Flame Ionization detector (GCFID) method to identify and quantify different phytoconstituents. In vitro enzyme assay (α-Amylase, LdH and PLA2) were performed using standard procedure. The extract contained Alkaloids such as Spartein (5.05 µg/ml), Dihydrocytisine (23.12 µg/ml), Aphyllidine (5.25 µg/ml), Ribalinidine (2.65 µg/ml), Epihedrine (1.91 µg/ml), Saponins such as sapogenin (5.70 µg/ml), Tannins (16.25 µg/ml), Flavonoids such as Kaempferol (4.59 µg/ml), Catechin (5.50 µg/ml), Proanthocyanidin (9.81 µg/ml), Anthocyanin (3.22 µg/ml), Narigenin (3.62 µg/ml), Flavonones (8.73 µg/ml), Steroids (8.58 µg/ml), Polyphenols such as Reservatrol (20.68 µg/ml) and Glycosides such as cardiac glycoside (4.42 µg/ml), Cyanogenic glycosides (17.72 µg/ml) while Terpenoids are absent. The percentage inhibition of the enzyme (PLA2, LdH and α-amylase) at 100 mg/ml of extract showed the highest inhibition (37 %, 0 % and 38.33 %) when compared to controls, while ethyl acetate fraction has the highest inhibition (98 %, 34 % and 92 %) at P ˂ 0.05 at 100 mg/kg respectively. This study justifies the use of ethnomedicinal remedies (B. brieyi) in treating malaria in infected individuals. The study also suggests that the extract and fractions may act through the inhibition of plasmodial enzymes in infected persons.

Brenania brieyi (De Wild), a plant from the Rubiaceae family, has been traditionally used in treating various illnesses, especially for treating liver disorders. This study aims to verify the hepatoprotective properties of the extract and fractions of B. brieyi against carbon tetrachloride-induced liver damage in rats and compare it with the positive control (Silymarin) using the protective model. The plant material was extracted using cold maceration and fractionated with n-hexane, ethyl acetate and methanol to get different fractions. Phytochemical constituents were determined using the Gas Chromatography-Flame Ionization Detection (GC-FID) method. Hepatoprotective activity and Histopathology studies were evaluated using standard procedures in determining biochemical parameters such as alkaline phosphatase (ALP), aspartate transaminase (AST), alanine transaminase (ALT), Acid Phosphatase (ACP), albumin bilirubin, urea, creatinine, and total protein. The extract and fractions were shown to be rich in flavonoids, glycosides, alkaloids, saponins, tannins and steroids. The results demonstrated that 200 mg/kg of the extract significantly (p<0.05) reduced the levels of ALT, AST, and ALP from (46.60±2.08, 74.80±1.59 and 97.40±1.32 IU/L) to (23.20±1.02, 38.40±0.51 and 46.40±0.81 IU/L) respectively compared to (24.20±0.66, 37.20±1.15 and 48.40±0.81 IU/L) reduction obtained from the positive control (Silymarin 25 mg/Kg), indicating its hepatoprotective potentials. At 400 mg/kg the extract significantly reduced (p<0.05) the levels of AST (20.80±0.58), AST (36.80±0.73), and ALP (48.40±0.81) when compared with Silymarin. The study validates the traditional use of B. brieyi for treating liver disorders, showing that its extract and fractions have a dose-dependent effect in reducing the levels of ALT, AST, ALP, and other enzymes in carbon tetrachloride-induced liver damage in rats. Keyword: Brenania brieyi, Silymarin, Hepatoprotective potentials, Carbon tetrachloride, liver damage, liver enzymes, biochemical parameters.

Emerging cases of antimicrobial resistance in the treatment of microbial infections have really posed as a threat thus leading to the search of new drugs from natural sources. Endophytic fungi which live within plant's cells are microorganisms from which many novel metabolites with antimicrobial activity can be obtained. The aim of the study was to examine the antimicrobial activity and the phytoconstituents of the extract produced by the endophytic fungus from Annona muricata. From A. muricata leaves, the fungal endophyte was extracted and fermented. The endophytic extract produced was tested against Pseudomonas aeruginosa, Streptococcus mutants, Salmonella typhi, Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Aspergillus niger, and Candida albicans. Following standard protocols, the extract was screened for phytochemicals and subjected to GC-MS analysis. With the exception of P. aeruginosa and A. niger, the results demonstrated that the extract has antimicrobial property with minimum inhibitory concentration (MIC) values in the range of 0.8 mg/ml to 1.0 mg/ml. Phytochemicals tested including phenolics, flavonoids, alkaloids, tannins, steroids, saponins and terpenes were present. Twenty (20) main compounds, mostly fatty acids, were detected by GC-MS and they may be the source of the extract's antimicrobial property. The endophytic fungus extract possesses significant bioactive compounds with a wide spectrum of antimicrobial activity and can be further explored.

Brenania brieyi (Rubiaceae) is used in ethnomedicine for the treatment of malaria, microbial infections, trypanosomal disease, infertility and inflammatory disorders. The study determined antitrypanosomal and antimicrobial activities of extract and fractions of B. brieyi. Cold maceration and solvent-solvent partitioning were used to obtain the extract and respective fractions in order of their increasing polarity: n-hexane, dichloromethane, ethylacetate and absolute methanol. Phytochemical analysis, acute toxicity test and haematological parameters (Packed Cell Volume, parasitemia count) were carried out using standard procedures. Rapid matching and Agar dilution methods were used for antitrypanosomal and antimicrobial studies respectively. The extract (100, 200 and 400 mg/kg), fractions (200 mg/kg) and diminazine aceturate (3.5 mg/kg) were administered per oral. The extract was found to be safe up to 5000 mg/kg. The phytoconstituents present in the plant include tannins, terpenoids, flavonoids, phlobatannins, alkaloids, saponins, cardiac glycosides, quinones, steroids and phenols. The methanol extract of Brenania brieyi (MEBB) root showed significant (p < 0.05) dose-dependent inhibition of parasitemia. Antitrypanosomal activity of the fractions showed that the fractions possess varying degree of parasitemia clearance at 200 mg/kg dose. Methanol fraction produced the highest parasitemia clearance (6.98 ± 0.08 %), followed by n-hexane (7.13± 0.23 %), dichloromethane (7.43± 0.14 %) while ethylacetate fraction (9.00± 0.00 %) caused the least parasitemia clearance when compared with the positive control (0.00± 0.00 %). Haematological parameters and survival time were significantly (p < 0.05) increased, n-hexane fraction exhibited significant (p < 0.05) increase in survival time at 200 mg/kg (after 26 days). Methanol fraction at MICs of 7 to10 mg/ml showed inhibitory activity against Bacillus subtilis, Salmonella typhi, Escherichia coli, Klebsiella pneumonia, Staphylococcus aureus, Streptococcus mutant, Candida albicans and Aspergillus niger. The results obtained revealed that the extract and fractions possess antitrypanosomal and antimicrobial activity. The study provides scientific evidences for the traditional uses of the plant in treating infectious diseases.

Ethnobotanical relevance: Malaria is a serious public health problem especially in sub-Saharan African countries such as Nigeria. The causative parasite is increasingly developing resistance to the existing drugs. There is urgent need for alternative and affordable therapy from medicinal plants which have been used by the indigenous people for many years. Aim of study: This study was conducted to document the medicinal plant species traditionally used by the people of Nsukka Local Government Area in south-eastern Nigeria for the treatment of malaria. Methods: A total of 213 respondents, represented by women (59.2%) and men (40.8%), were interviewed using a semi-structured questionnaire. The results were analysed and discussed in the context of previously published information on anti-malarial and phytochemical studies of the identified plants. Results: The survey revealed that 50 plant species belonging to 30 botanical families were used in this region for the treatment of malaria. The most cited families were Apocynaceae (13.3%), Annonaceae (10.0%), Asteraceae (10.0%), Lamiaceae (10.0%), Poaceae (10.0%), Rubiaceae (10.0%) and Rutaceae (10.0%). The most cited plant species were Azadirachta indica (11.3%), Mangifera indica (9.1%), Carica papaya (8.5%), Cymbopogon citratus (8.5%) and Psidium guajava (8.5%). Conclusion: The present findings showed that the people of Nsukka use a large variety of plants for the treatment of malaria. The identified plants are currently undergoing screening for anti-malarial, toxicity and chemical studies in our laboratory.

Additional file 2. 178D octapeptide sequence descriptors calculated from Pfeature software.

Background: The 2’-O-methyltransferase is responsible for the capping of SARS-CoV-2 mRNA and consequently the evasion of the host’s immune system. This study aims at identifying prospective natural inhibitors of the active site of SARS-CoV-2 2’O-methyltransferase (2’-OMT) through an in silico approach. Materials and methods: The target was docked against a library of natural compounds obtained from edible African plants using PyRx - virtual screening software. The antiviral agent, Dolutegravir which has a binding affinity score of -8.5 kcal mol−1 with the SARS-CoV-2 2’-OMT was used as a standard. Compounds were screened for bioavailability through the SWISSADME web server using their molecular descriptors. Screenings for pharmacokinetic properties and bioactivity were performed with PKCSM and Molinspiration web servers respectively. The PLIP and Fpocket webservers were used for the binding site analyses. The Galaxy webserver was used for simulating the time-resolved motions of the apo and holo forms of the target while the MDWeb web server was used for the analyses of the trajectory data. Results: The Root-Mean-Square-Deviation (RMSD) induced by Rhamnetin is 1.656A0 compared to Dolutegravir (1.579A0). The average B-factor induced by Rhamnetin is 113.75 while for Dolutegravir is 78.87; the Root-Mean-Square-Fluctuation (RMSF) for Rhamnetin is 0.75 and for Dolutegravir is 0.67. Also, at the active site, Rhamnetin also has a binding affinity score of -9.5 kcal mol−1 and forms 7 hydrogen bonds compared to Dolutegravir which has -8.5 kcal mol−1 and forms 4 hydrogen bonds respectively. Conclusion: Rhamnetin showed better inhibitory activity at the target’s active site than Dolutegravir.

Abstract Background In most parts of the world, especially in underdeveloped countries, acquired immunodeficiency syndrome (AIDS) still remains a major cause of death, disability, and unfavorable economic outcomes. This has necessitated intensive research to develop effective therapeutic agents for the treatment of human immunodeficiency virus (HIV) infection, which is responsible for AIDS. Peptide cleavage by HIV-1 protease is an essential step in the replication of HIV-1. Thus, correct and timely prediction of the cleavage site of HIV-1 protease can significantly speed up and optimize the drug discovery process of novel HIV-1 protease inhibitors. In this work, we built and compared the performance of selected machine learning models for the prediction of HIV-1 protease cleavage site utilizing a hybrid of octapeptide sequence information comprising bond composition, amino acid binary profile (AABP), and physicochemical properties as numerical descriptors serving as input variables for some selected machine learning algorithms. Our work differs from antecedent studies exploring the same subject in the combination of octapeptide descriptors and method used. Instead of using various subsets of the dataset for training and testing the models, we combined the dataset, applied a 3-way data split, and then used a "stratified" 10-fold cross-validation technique alongside the testing set to evaluate the models. Results Among the 8 models evaluated in the “stratified” 10-fold CV experiment, logistic regression, multi-layer perceptron classifier, linear discriminant analysis, gradient boosting classifier, Naive Bayes classifier, and decision tree classifier with AUC, F-score, and B. Acc. scores in the ranges of 0.91–0.96, 0.81–0.88, and 80.1–86.4%, respectively, have the closest predictive performance to the state-of-the-art model (AUC 0.96, F-score 0.80 and B. Acc. ~ 80.0%). Whereas, the perceptron classifier and the K-nearest neighbors had statistically lower performance (AUC 0.77–0.82, F-score 0.53–0.69, and B. Acc. 60.0–68.5%) at p < 0.05. On the other hand, logistic regression, and multi-layer perceptron classifier (AUC of 0.97, F-score > 0.89, and B. Acc. > 90.0%) had the best performance on further evaluation on the testing set, though linear discriminant analysis, gradient boosting classifier, and Naive Bayes classifier equally performed well (AUC > 0.94, F-score > 0.87, and B. Acc. > 86.0%). Conclusions Logistic regression and multi-layer perceptron classifiers have comparable predictive performances to the state-of-the-art model when octapeptide sequence descriptors consisting of AABP, bond composition and standard physicochemical properties are used as input variables. In our future work, we hope to develop a standalone software for HIV-1 protease cleavage site prediction utilizing the linear regression algorithm and the aforementioned octapeptide sequence descriptors.

Abstract Dolichyl-phosphate N-acetylglucosaminephosphotransferase (dpagt1) inhibition is reported to kill tumor cells whose growth progression requires increased branching of N-linked glycans. Available dpagt1 inhibitors are grossly limited and are faced with problems of heamolytic effect and aqueous solubility thereby necessitating the search for new, safe and effective dpagt1 inhibitors. We employed computational methods to screen a dataset of ∼1300 FDA approved drugs in order to obtain theoretical dpagt1 inhibitors which could be repurposed as chemotherapeutic drugs. Top six better performing drugs, binding affinity for dpagt1 at the range of −17.63 to −20.40 kcal/mol, than the reference ligand (tunicamycin; −14.86 kcal/mol) were obtained at the end of structure-based-pharmacophore- and virtual-screening and ‘induced fit’ docking calculations. Analysis of their binding poses identified essential pharmacophores involved in target-ligand complexation that could be targeted in chemical modification to develop more effective and safe dpagt1 inhibitors. Communicated by Ramaswamy H. Sarma

Background: Combretum paniculatum (Combretaceae) Vent. is commonly used in traditional medicine to treat ulcers and gastrointestinal disorders, including distended spleens and the liver. This study investigated the gastroprotective effects of C. paniculatum leaf extract and its fractions on absolute ethanol-induced gastric ulcers in rats and explored their effects on endogenous antioxidant (SOD, MDA, GSH, and Catalase) levels. Butanol, n-hexane, and ethyl acetate extracts (100 and 200 mg/kg), omeprazole (20 mg/kg), and control (3% Tween 80) were administered orally. Results: The methanolic extract and fractions of C. paniculatum exhibited varying degrees of ulcer protection. MECP exhibited significant (P < 0.05) ulcer protection (55.56%) at 200 mg/kg; at 100 and 200 mg/kg, HFCP induced considerable (P < 0.01 & 0.001) ulcer reduction (64.44% and 80.00%), respectively; EAFCP offered substantial (P < 0.05) ulcer reduction (57.78%) at 200 mg/kg, whereas BFCP produced significant (P < 0.01) ulcer protection (73.33% and 68.89%) at 100 and 200 mg/kg against absolute ethanol-induced ulcer. MDA levels were substantially reduced after pretreatment with the extract and fractions, whereas SOD, GSH, and catalase levels were significantly enhanced. Conclusion: These findings suggest that C. paniculatum leaf extract and fractions possess gastroprotective actions against ethanol-induced ulcers and exert these effects through antioxidant mechanisms. Therefore, the traditional use of C. paniculatum leaves in the treatment of ulcers is justified.

Bacteria and fungi have a high potential to produce compounds that display large structural change and diversity, thus displaying an extensive range of biological activities. Secondary metabolism or specialized metabolism is a term for pathways and small molecule products of metabolism that are not mandatory for the subsistence of the organism but improve and control their phenotype. Their interesting biological activities have occasioned their application in the fields of agriculture, food, and pharmaceuticals. Metabolic engineering is a powerful approach to improve access to these treasured molecules or to rationally engineer new ones. A thorough overview of engineering methods in secondary metabolism is presented, both in heterologous and epigenetic modification. Engineering methods to modify the structure of some secondary metabolite classes in their host are also intensively assessed.

In the present study, the antimalarial activity of the extracts and fractions of the leaves of Persea americana and Dacryodes edulis as well as their phytochemical compositions were examined. Each of the extracts of the plants was successively fractionated to obtain hexane, ethyl acetate, methanol, and water fractions. The extracts and fractions were tested against Plasmodium berghei in both curative and suppressive antimalarial mouse models. Their major phytochemical composition was studied by the standard chemical tests and HPLC analysis. The extracts and fractions of P. americana and D. edulis demonstrated significant (p < 0.05) maximal plasmodial inhibition as 52.16 ± 2.77% and 57.10 ± 1.98%, respectively, and chemosuppression of parasitemia as 64.01 ± 0.08% and 71.99 ± 0.06%, respectively. The major secondary metabolites identified in the plants include alkaloids, flavonoids, and saponins. It was concluded that P. americana and D. edulis possess promising antimalarial activity and they are potential sources of new lead compounds against malaria.

Cyrene (dihydrolevoglucosenone) is a bicyclic, chiral, seven-membered heterocyclic cycloalkanone which is a bio-based and fully biodegradable dipolar aprotic solvent. Cyrene is made from plantation radiata pine. It is used as a green solvent in pharmaceutical industries for the production of drugs and other pharmaceuticals. The advantages of green solvents are that they are less toxic, renewable, and cost-effective. Cyrene is nontoxic, harmless, and a greener alternative than a toxic organic solvent such as Dimethlyformamide (DMF) and N-methyl-2-pyrrolidone (NMP). In this contribution, Cyrene is discussed as a green solvent in terms of its source, synthesis, pharmaceutical uses, and its merits.

Aqueous methanol extract of the tuber of Icacina trichantha was prepared using cold maceration and dried in vacuo at 40°C. The extract was purified using solvent-solvent partitioning with n-hexane, dichloromethane, ethyl acetate, n-butanol. n-Hexane fraction was purified using Vacuum Liquid Chromatography, eluting with a gradient of dichloromethane in methanol (9:1, 7:3, 5:5, 0:10, each 500 mL) to obtain four sub-fractions. Acute toxicity study was done using Lorke’s method while in vivo anti-malarial study was carried out using suppressive model. Phytochemical analysis was carried out using standard procedure and most active sub-fraction was subjected to gas chromatography-mass spectroscopy. The extract at doses of 100, 200 and 400 mg/kg caused a significant (p<0.001) increase in percentage suppression of Plasmodium: 91.54 %, 94.48 % and 94.58% respectively. Phytochemical analysis of the extract revealed the presence of alkaloids, tannins, flavonoids saponin, glycoside, terpenoids, phenols, steroids, carbohydrates, reducing sugars. The GC-MS analysis showed the presence of eighteen compounds, the most abundant compound includes 9- octadecenoic acid (Z)-, methyl ester (oleic acid, 15.30%), 9, 12-octadecadienoic acid (Z, Z), methyl ester (linoleic acid, 14.34%). These findings suggest scientific evidence in support to the use of I. trichantha tuber for the management of malaria.

Aqueous methanol extract of the tuber of Icacina trichantha was prepared using cold maceration and dried in vacuo at 40 degrees C. The extract was purified using solvent-solvent partitioning with n-hexane, dichloromethane, ethyl acetate, n-butanol. n- Hexane fraction was purified using Vacuum Liquid Chromatography, eluting with a gradient of dichloromethane in methanol (9:1, 7:3, 5:5, 0:10, each 500 mL) to obtain four sub-fractions. Acute toxicity study was done using Lorke's method while in vivo anti-malarial study was carried out using suppressive model. Phytochemical analysis was carried out using standard procedure and most active sub-fraction was subjected to gas chromatography-mass spectroscopy. The extract at doses of 100, 200 and 400 mg/kg caused a significant (p<0.001) increase in percentage suppression of Plasmodium: 91.54 %, 94.48 % and 94.58% respectively. Phytochemical analysis of the extract revealed the presence of alkaloids, tannins, flavonoids saponin, glycoside, terpenoids, phenols, steroids, carbohydrates, reducing sugars. The GC-MS analysis showed the presence of eighteen compounds, the most abundant compound includes 9- octadecenoic acid (Z)-, methyl ester (oleic acid, 15.30%), 9, 12-octadecadienoic acid (Z, Z), methyl ester (linoleic acid, 14.34%). These findings suggest scientific evidence in support to the use of I. trichantha tuber for the management of malaria.

A bibliographic ethno-botanical survey was carried out on the medicinal plants used for the treatment of gyneco-obstetric problems in some regions of Cameroon by traditional medical practitioners and the indigenous people since the dawn of time. This survey gives a summary of medicinal plant species used in some regions of Cameroon. The data represent Cameroonian medicinal plants including their sources, families, species, local names and parts of plant used for specific treatments. From this investigative study, 73 plant species belonging to 33 families were identified. Asteraceae, Mimosaceae and Moraceae were the most recorded families of the plant. The plants are used as leaves, fruits, roots, barks or whole plant to prepare recipes for the treatment. The chemical structures of some of the isolated compounds from these plants are also presented. Since there are unexploited traditional medicinal plants that need to be utilized by the indigenous people and pharmaceutical industries, there is a need for the experimental integration of traditional medicine to determine the active phytochemical present in these plants.

Nanotechnology is a fast-growing field of science. Nanoparticles get much attention due to their unique physicochemical, optical and thermal activities. Silver nanoparticles have been used in experiments to treat infectious diseases. The goal of the research was to make silver nanoparticles using Euphorbia hirta extract, physically characterize the nanoparticles obtained and, to evaluate silver nanoparticles' antibacterial properties. The leaf extract of E. hirta (asthma weed) was used for the reduction of 1 mM silver nitrate (AgNO3) solution to silver nanoparticles (SNPs). SNPs were made by combining 50 mL of aqueous plant extract with 250 mL of AgNO3 solution to make SNPs. The mixture was monitored for two hours. The synthesized SNPs were characterized by UV-Vis, FTIR spectroscopy and particle size. The antimicrobial activity of the SNPs was tested against Escherichia. coli, Pseudomonas. aeruginosa, Salmonella. typhi, Bacillus. subtilis and Candida. albicans. The reaction medium's hue shifted from yellow to brown. The results of the UV-vis analysis of the particles showed that at 430 nm the particles had the maximum absorption (λ max) within 2 hours. The FTIR identified carboxylic acid and other functional groups. The polydispersity index (PDI) and Z-average particle size were found to be 0.426 and 274 nm, respectively. The results of the antimicrobial studies showed sufficient growth inhibition of the bacteria by the SNPs the minimum inhibitory concentration (MIC) ranging from 7 µg-10 µg. It was concluded that SNPs were synthesized using E. hirta leaf extract. The synthesized SNPs possess good activity against pathogenic microorganisms.