Spatial distribution, bioaccessibility, and human health implications of potentially toxic elements in mining-impacted topsoils in Obuasi Municipality of Ghana.

Potential toxic elements emanating from extracted ores during gold processing present occupational and unintentional health hazards in communities, the general populace, and the environment. This study investigated the concentrations and potential health effects of metal content in the topsoils of Obuasi municipality, which has been mined for gold over the past century. Surface topsoil samples, sieved to 250 µm, were initially scanned for metals using x-ray fluorescence techniques, followed by confirmation via ICP-MS. In vitro bioaccessibility assays were conducted using standard methods. The geoaccumulation indices (Igeo) indicate high enrichment of As (Igeo = 6.28) and Cd (Igeo = 3.80) in the soils, especially in the eastern part of the municipality where illegal artisanal mining is prevalent. Additionally, the southern corridor, situated near a gold mine, exhibited significant levels of As and Mn. Results obtained for the total metal concentrations and contamination indices confirmed the elevation of the studied potential toxic elements in the Obuasi community. A hazard index value of 4.42 and 3.30 among children and adults, respectively, indicates that indigens, especially children, are susceptible to non-cancer health effects.

Distribution and in-vitro bioaccessibility of potentially toxic metals in surface soils from a mining and a non-mining community in Ghana: implications for human health.

The concentration and bioaccessibility of potentially toxic metals, including As, Cd, Cr, Cu, Mn, Ni, Pb and Zn, were determined in surface soil samples from a mining community (Kenyasi) and a non-mining community (Sunyani) in Ghana, to investigate the contribution of mining activities to the environmental burden of potentially toxic metals. The study found significant differences in metal concentrations (p < 0.05) in As, Cd, Cu, Mn, Ni, and Zn, but no significant difference (p > 0.05) in Pb and Cr between the two communities. The study found a moderate correlation between pH and metal concentrations in the mining community and a moderate positive correlation with As, Cd, Cr, Cu, Ni, and Zn in the non-mining community. The distribution pattern revealed elevated levels of toxic metals in the southeastern corridor of the mining community, which is close to a gold mine. Most heavy metals were concentrated in the commercial community's southern zone, with more residents and private elementary schools. Metal bioaccessibility was variable, and except for Cu and Zn, the mean bioaccessibility was less than 50% for a given metal. Contamination factor, geoaccumulation index, and soil enrichment factor suggested very high contamination of Cd, and a considerable to moderate contamination of As, Ni, Zn, and Cu at both the mining and non-mining communities. The above observations and the pollution and risk indices employed in this study confirmed that the mining community was more polluted (PLI = 2.145) than the non-mining community (PLI = 1.372). The total metal hazard (HI) exceeded thresholds by three and four times at non-mining and mining sites. Regular monitoring is necessary, especially in the mining community, to prevent soil metal accumulation.

Human exposure to mercury in the atmosphere and soils in Konongo: an age-old mining centre in the Ashanti Region of Ghana.

The dramatic upsurge of artisanal and small-scale gold mining (ASGM) activities in Ghana has resulted in environmental degradation, water pollution and human exposure to mercury-the main hazardous element used in gold extraction. This study evaluated the degree of human exposure to mercury based on the concentrations found in the air and soil samples taken at a resolution of 1 km2 across Konongo, a historic mining town in Ghana's Ashanti Region. The highest atmospheric mercury concentration was 193 ng/m3, which is much higher than the levels the European Union and Japan allowed, which are 10 ng/m3 and 40 ng/m3, respectively. The concentration in the soil was 3.6 mg Hg/kg, which is around ten times higher than the background concentration in nature. Additionally, the soil concentrations were higher above the worrisome levels of soil contamination in agricultural land (4 mg/kg) and industrial areas (16 mg/kg), respectively. Soils are extremely contaminated with mercury at sites artisanal mining activities take place. The concentrations of mercury in the air and soils were significantly higher (p < 0.5) at locations of prominent mining activities compared to areas not close to mining sites. The inhabitants of the Konongo community are therefore exposed to mercury, most likely emitted from artisanal mining activities. A non-carcinogenic risk is posed to the people by inhaling mercury vapour through the air and vapourisation from the soil. Children are exposed to a higher risk than adults as they receive higher daily doses of mercury than adults.

Accumulation and bioaccessibility of toxic metals in root tubers and soils from gold mining and farming communities in the Ashanti region of Ghana.

The presence of metal contaminants in agricultural soils and subsequent uptake by food crops can pose serious human health risk. In this study, we assessed the levels of toxic metals - arsenic, chromium, copper, iron, manganese, nickel, and zinc - in soils and some edible root tuber crops from two gold mining and two non-mining communities in Ghana to evaluate the potential human health risks associated with exposure to these metals. Concentrations of the metals in 154 soil and edible root tuber samples were analyzed using field portable x-ray fluorescence spectrometer prior to confirmation by inductively coupled plasma mass spectrometry. Bioaccessibility of the metals was determined using an in vitro physiologically based extraction technique. Concentrations of the metals were generally higher in the gold mining communities than in the non-mining communities. The contamination indices indicated low to moderate contamination of the soil and food crops. Bioaccessibility for the metals varied from 1.7% (Fe) to 62.3 (Mn). Overall, the risks posed by the metals upon consumption of the tubers were low.

Urbanizing with or without nature: pollution effects of human activities on water quality of major rivers that drain the Kumasi Metropolis of Ghana.

The effects of urbanization such as population upsurge, increased industrialization, urban agriculture, and rural-urban migration of persons exert pressure on the limited water resources in most cities. This study investigated the impact of human activities on the water and sediment quality of the three main rivers (Wiwi, Subin, and Suntre) in Kumasi, the second-largest city in Ghana. The physicochemical parameters and the concentrations of contaminants, including heavy metals, polycyclic aromatic hydrocarbons, pesticide residues, and microbial loads in the rivers, were linked to the specific human activities at the riverbanks. While all the 37 pesticide residues investigated in river sediments had concentrations below the detection limits (0.005 mg/kg for organochlorines, 0.010 mg/kg for organophosphates, and 0.010 mg/kg for synthetic pyrethroids), the study showed that the sediments are polluted with petrogenic and pyrogenic polycyclic aromatic hydrocarbons. River Subin, the most polluted among the three rivers, recorded benzo[e]pyrene concentrations up to 47,169 µg/kg. The geoaccumulation index and concentration factors show that the rivers are highly contaminated with metals such as cadmium, chromium, mercury, and arsenic and are related to human activities. The microbial quality of the rivers was poor, recording specific microbial loads of 6.8, 4.1, and 1.5 × 107 counts/100 mL respectively for Wiwi, Subin, and the Suntre Rivers. The three water bodies are therefore not suitable for recreational and irrigational purposes.

Oplodiol and nitidine as potential inhibitors of Plasmodium falciparum dihydrofolate reductase: insights from a computational study.

Many natural products have been shown to possess antiplasmodial activities, but their protein targets are unknown. This work employed molecular docking and molecular dynamics simulations to explore the inhibitory activity of some antiplasmodial natural products against wild-type and mutant strains of Plasmodium falciparum dihydrofolate reductase (PfDHFR). From the molecular docking study, 6 ligands preferentially bind at the active site of the DHFR domain with binding energies ranging from -6.4 to -9.5 kcal/mol. Interactions of compounds with MET55 and PHE58 were mostly observed in the molecular docking study. From the molecular dynamics study, the binding of 2 of the ligands-nitidine and oplodiol-was observed to be stable against all tested strains of PfDHFR. The average binding free energy of oplodiol in complex with the various PfDHFR strains was -93.701 kJ/mol whereas that of nitidine was -106.206 kJ/mol. The impressive in silico activities of the 2 compounds suggest they could be considered for development as potential antifolate agents.Communicated by Ramaswamy H. Sarma.

Peptide Extract from Red Kidney Beans, Phaseolus vulgaris (Fabaceae), Shows Promising Antimicrobial, Antibiofilm, and Quorum Sensing Inhibitory Effects.

The rapid spread of multidrug-resistant bacteria has led to an increased risk of infectious diseases. Pseudomonas aeruginosa, in particular, poses a significant obstacle due to its propensity to rapidly acquire resistance to conventional antibiotics. This has resulted in an urgent need for the development of new classes of antibiotics that do not induce resistance. Antimicrobial peptides (AMPs) have been studied as potential small-molecule antibiotics due to their unique mode of action. In this study, peptides were extracted from the seeds of Phaseolus vulgaris (Fabaceae), and the antimicrobial activities of the extract were evaluated using microbroth dilution against five different microorganisms. The extract showed antimicrobial activity against all tested organisms with minimum inhibitory concentrations (MIC) of 2.5 mg/mL, except for Candida albicans and Pseudomonas aeruginosa, which had MICs of 1.25 mg/mL. The extract was also bacteriostatic for all tested organisms. The crude peptide extract from Phaseolus vulgaris was further studied for its antibiofilm activity against Pseudomonas aeruginosa, a common nosocomial pathogen associated with biofilm formation. The extract showed good antibiofilm activity at 1/2 MIC. The extract also inhibited the expression of pyocyanin and pyoverdine (virulence factors of P. aeruginosa whose expression is mediated by quorum sensing) by 82% and 66%, respectively. These results suggest that the peptide mix from Phaseolus vulgaris may inhibit biofilm formation and virulence factor expression by interfering with cell-to-cell communication in Pseudomonas aeruginosa. The ability of the extract to inhibit the growth and biofilm formation of all tested organisms indicates its potential as an antimicrobial agent that could be further studied for drug discovery.

Computer-aided design of proline-rich antimicrobial peptides based on the chemophysical properties of a peptide isolated from Olivancillaria hiatula.

The chemophysical properties of a peptide isolated from Olivancillaria hiatula were combined with computational tools to design new antimicrobial peptides (AMPs). The in silico peptide design utilized arbitrary sequence shuffling, AMP sequence prediction and alignments such that putative sequences mimicked those of proline-rich AMPs (PrAMPs) and were potentially active against bacteria. Molecular modelling and docking experiments were used to monitor peptide binding to some intracellular targets like bacteria ribosome, DnaK and LasR. Peptide candidates were tested in vitro for antibacterial and antivirulence activities. Chemophysical studies of peptide extract suggested hydrophobic, acidic and proline-rich peptide properties. The amino acid signature of the extract matched that of AMPs that inhibit intracellular targets. Two of the designed PrAMP peptides (OhPrP-3 and OhPrP-5) had high affinity for the ribosome and DnaK. OhPrP-1, 2 and 4 also had favorable interactions with the biomolecular targets investigated. Peptides had bactericidal activity at the minimum inhibitory concentration against Pseudomonas aeruginosa. The designed peptides docked strongly to LasR suggesting possible interference with quorum sensing, and this was corroborated by in vitro data where sub-inhibitory doses of all peptides reduced pyocyanin and pyoverdine expression. The designed peptides can be further studied for the development of new anti-infective agents.

De novo peptides as potential antimicrobial agents.

The phenomenon of antimicrobial resistance threatens our ability to treat common infections. The clinical pipeline for new antimicrobials is pretty much dry and hence, there is a need for the development of new antimicrobial agents with low toxicities to help fight resistant microorganisms. This work aimed to design antimicrobial peptides with low toxicities using a database filtering technology and evaluate their bioactivities. The physicochemical properties of the designed peptides were explored with molecular dynamics (MD) simulations. Microbroth dilution and hemolytic assays were used to assess the peptides' antimicrobial activity and toxicity. The activity of combinations of the peptides and some standard antibiotics was tested by the checkerboard method. In general, the designed peptides had a charge of +2, chain length of 13, and hydrophobicity of 61%. The predicted secondary structures of the peptides were either extended conformations or alpha-helices, and these structures were found to fluctuate during the MD simulations, where coils, bends, and helices dominated. , of the peptides, BRG003, BRG004 and BRG002 had the greatest aggregation propensities, whereas BRG001, BRG005, and BRG006 exhibited lower aggregation propensities. The minimum inhibitory concentration (MIC) of the peptides ranged from 0.015 to >1.879 µM, with BRGP-001 exhibiting high activity against MRSA with an MIC of 15 nM. BRGP-005 and BRGP-006 exhibited synergistic effects against Escherichia coliR when used in combination with erythromycin. At the minimum hemolytic concentration, the percentage of lysed erythrocytes was lower for all the peptides in comparison to the reference peptide, indicating low hemolytic activity. The study revealed the importance of peptide self-association in the antimicrobial activity of the peptides. These peptides provide a basis for the design of potent antimicrobial peptides that can further be developed for use in antimicrobial therapy.

In silico identification of α-bisabolol and letestuianin C as potential inhibitors of Trypanosoma brucei trypanothione reductase.

Despite the recent advances in drug research, finding a safe, effective, and easy to use chemotherapy for human African trypanosomiasis (HAT) remains a challenging task. Trypanosomatids have developed resistance mechanisms towards melarsoprol (the current drug of choice), and the fact that it is poisonous is problematic. Therefore, a search for alternative therapeutics against the parasite is urgently needed. Natural products offer potential for drug discovery, but little or nothing is known about the target of inhibition or possible mode of inhibition. Therefore, this study aimed to use molecular docking and molecular dynamics simulations to evaluate 30 antitrypanosomal natural products as potential inhibitors of trypanothione reductase, a key protein necessary for the survival of the Trypanosoma brucei. The study also assessed the pharmacokinetic properties of the most promising compounds. Of the compounds evaluated, α-bisabolol, letestuianin C, waltherione, and mexicanin E were found to bind at the active site of TR and interact with Met115, Tyr112, and Trp23, which are essential for enzyme functioning. Molecular dynamic simulations revealed the sustained binding of α-bisabolol and letestuianin C throughout the simulation period, potentially obstructing the binding of the substrate (T[S]2) and impeding catalysis. The binding of these compounds to TR led to the presence of solvent molecules in the enzyme's active site, and this could potentially lead to protein aggregation. Furthermore, α-bisabolol and letestuianin C exhibited promising safety profiles. Consequently, α-bisabolol and letestuianin C have been shown to be viable candidates for targeting trypanothione reductase in the fight against human African trypanosomiasis.Communicated by Ramaswamy H. Sarma.

Computational studies on potential small molecule inhibitors of Leishmania pteridine reductase 1.

Leishmaniasis is a neglected tropical disease of major public health concern. Challenges with current therapeutics have led to the exploration of plant medicine for potential antileishmanial agents. Despite the promising activity of some antileishmanial natural products, their protein targets have not been explored. The relevance of folate metabolism in the Leishmania parasite's existence presents crucial targets for the development of antileishmanial chemotherapy. Pteridine reductase 1 (PTR1), a crucial enzyme involved in DNA biosynthesis, is a validated target of the Leishmania parasite. Unearthing inhibitors of this enzyme is therefore an active research area. The goal of this work is to unearth small molecule inhibitors of PTR1 using molecular docking and molecular dynamic simulations. Thus, the interactions between selected antileishmanial natural products and PTR1 were examined. The binding affinities obtained from molecular docking ranged from -6.2 to -9.8 kcal/mol. When compared to the natural PTR1 substrate biopterin, compounds such as anonaine, chimanine D, corynantheine, grifolin, licochalcone A, piperogalin and xylopine produced better binding affinities, making interactions catalytic residues - Tyr194, Asp181, Phe113, Arg17 and Ser111. The PTR1- xylopine, -piperogalin, -grifolin, and -licochalcone A complexes exhibited remarkable stability under dynamic conditions during the entire 200 ns simulation period. The overall binding free energy of grifolin, piperogalin, and licochalcone A were observed to be -105.711, -103.567, and -105.646 kJ/mol respectively. The binding of these complexes was observed to be favorable and spontaneous and as such capable of inhibiting Leishmania PTR1. They could therefore be considered as candidates in the development of antileishmanial chemotherapy.Communicated by Ramaswamy H. Sarma.

The Amaryllidaceae alkaloid, montanine, is a potential inhibitor of the Trypanosoma cruzi trans-sialidase enzyme.

Trypanosoma cruzi is the parasite that causes the chronic malady known as Chagas disease (CD). Only nifurtimox and benznidazole are currently approved to treat CD in acute and chronic phases. To minimize the danger of disease transmission and as a therapy, new compounds that are safer and more effective are required. It has been demonstrated that Amaryllidaceae plants suppress the growth of T. cruzi - the causative agent of CD. However, little research has been done on their potential protein targets in the parasite. In this study, an in-silico approach was used to investigate the interactions of the Amaryllidaceae alkaloids with trans-sialidase, a confirmed protein target of T. cruzi. The nature and efficiency of the main binding modes of the alkaloids were investigated by molecular docking. Trans-sialidase active site residues were bound by the alkaloids with binding energies varying from -8.9 to -6.9 kcal/mol. From the molecular docking investigation, all the alkaloids had strong interactions with the crucial amino acid residues (Glu230, Tyr342, and Asp59) required for trans-sialidase catalysis. Montanine was the most stable compound throughout the molecular dynamics simulation and had a favorable docking binding energy (-8.9 kcal/mol). The binding free energy (MM-GBSA) of the montanine complex was -14.6 kcal/mol. The pharmacokinetic properties investigated demonstrated that all the evaluated compounds exhibit suitable oral administration requirements. Overall, this in silico study suggests that the Amaryllidaceae alkaloids could potentially act as inhibitors of trans-sialidase.Communicated by Ramaswamy H. Sarma.

Chemical Characterization, Antioxidant, Antimicrobial, and Antibiofilm Activities of Essential Oils of Plumeria alba (Forget-Me-Not).

Essential oils are known to possess many biological properties such as antimicrobial and antioxidant activities. Plumeria alba flowers are used in traditional remedies for diarrhea, cough, fever, and asthma treatment. This work evaluated the chemical composition and the biological activities of essential oils obtained from the flowers and leaves of Plumeria alba. The essential oils were extracted using the Clevenger-type apparatus and characterized using GC-MS. In the flower essential oil, a total of 17 compounds were identified, with linalool (23.91%), α-terpineol (10.97%), geraniol (10.47%), and phenyl ethyl alcohol (8.65%) being abundant. In the leaf essential oil, a total of 24 compounds were identified, with benzofuran, 2,3-di, hydro-(3.24%), and muurolol (1.40%) being present. Antioxidant activities were assessed using hydrogen peroxide scavenging, phosphomolybdenum, and 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical-scavenging assays. Antimicrobial activities were assessed through a microdilution assay. The essential oil showed antimicrobial activity against test microorganisms with minimum inhibitory concentrations ranging from 25.0 to 50.0 mg/mL. Biofilm inhibition ranged from 27.14 ± 1.0 to 58.99 ± 0.6 mg/mL. The essential oil exhibited total antioxidant capacities which ranged from 17.5 µg/g AAE to 83 µg/g AAE in the phosphomolybdenum assay. The IC50 values in the DPPH and hydrogen peroxide radical scavenging assays for both flowers and leaves ranged from 18.66 µg/mL to 38.28 µg/mL. Both essential oils also displayed good antibiofilm activities, with the concentration required for half-maximal inhibition of biofilm formation being ∼60 mg/mL for both oils. This study shows that essential oils of Plumeria alba possess good antioxidant and antimicrobial activities and could be used as a source of natural antioxidants and antimicrobial agents.

Molecular insights into the differential membrane targeting of maximin 1 in prokaryotic and eukaryotic cells.

Antimicrobial resistance is a pressing global health concern, underscoring the need for alternative treatments. Antimicrobial peptides (AMPs) have shown promise in this regard, with maximin 1 being a cationic, amphipathic AMP possessing antibacterial, antifungal, and antiviral activities with low hemolytic activity. In this study, we used molecular dynamics simulation to investigate the molecular basis for membrane selectivity of Maximin 1. By studying interactions between maximin 1 and different models of prokaryotic (anionic) and eukaryotic (zwitterionic) membranes, we found that Maximin 1 interacts more strongly with the prokaryotic membrane due to electrostatic attraction, while it weakly interacts with the zwitterionic eukaryotic membrane. Our simulations also revealed that Gly-1, Lys-5, Lys-11, Lys-15, and Lys-19 were identified to play a crucial role in the adsorption of maximin unto the prokaryotic membrane surface. The alpha-helical nature of the peptide, in addition to its amphipathic nature, was necessary for the adsorption of the peptide onto the surface of the prokaryotic membrane. Interestingly, the later transition of the alpha helix into a random coil was crucial in penetrating the prokaryotic membrane while hindering interactions with the eukaryotic membrane. Residues in the middle region of the peptide (residues 9-16) were also responsible for permeating the prokaryotic membrane over the eukaryotic membrane. These findings shed light on the peptide's selective targeting of bacterial membranes over human cell membranes and could inform the design of more effective AMPs.Communicated by Ramaswamy H. Sarma.

Antimalarial compounds from the climbing stems of salacia debilis.

Salacia debilis Walp., (Celastraceae) is used traditionally in West Africa for the treatment of malaria. However, no scientific reports validating these effects and its active constituents are on record. Therefore, this study is aimed at evaluating the antimalarial effects, of its ethanolic extract and isolated compounds against Plasmodium falciparum 3D7 and P. berghei ANKA strains. Using chromatographic, spectrometric and spectroscopic techniques three compounds were isolated and characterised. The extract of S. debilis was active against P. falciparum 3D7, in an in vitro assay with IC50 of 12.0 ± 0.32 µg/ml. The three isolated compounds, namely 1,10-dihydroxy-6H-benzo[c]chromen-6-one (1), 8- hydroxy-3,4-dimethoxydibenzo[b,d]furan-1-carboxylic acid (2) and benzyl-2-methoxybenzoate (3), also showed antimalarial activity against Plasmodium berghei ANKA strain in curative and suppressive in vivo assays. The ethanolic extract and isolated compounds of S. debilis possess antimalarial effects. The isolated compounds may be responsible, at least in part, for the observed activities of the extract.

Human health risk assessment of potentially toxic elements in soil and air particulate matter of automobile hub environments in Kumasi, Ghana.

Rapid urbanization and uncontrolled industrial activities in developing countries have raised concerns about potentially toxic metal contamination of the environment. This study assessed the levels of potentially toxic elements in soil and airborne particulate matter in the Suame and Asafo areas in the Kumasi metropolis, characterized by a high concentration of auto mechanic workshops and residential settlements. X-ray fluorescence analysis and inductively coupled plasma-mass spectrometry were used to determine the metal concentrations in the samples. The results showed high concentrations of potentially toxic elements in the soil and air samples, indicating contamination from automotive activities. Metals such as Co, Ni, Pb, and Zn were found to be present at concentrations (13.42-6101.58 mg/kg and 14.15-11.74 mg/kg for Suame and Asafo respectively) that pose potential health risks to exposed populations. Mathematical models such as pollution indices were used to assess the extent of contamination and determine the potential sources of the metals - the automotive repairs. The findings highlight the urgent need for environmental management and remediation strategies to mitigate the health risks of exposure to potentially toxic elements in the Kumasi metropolis automotive hub.

Disposal of Unused and Expired Medicines within the Sunyani Municipality of Ghana: A Cross-Sectional Survey.

The occurrence of pharmaceuticals in the environment is a global challenge. Pharmaceuticals such as antibiotics and analgesics have been reported in various environmental matrices at varying concentrations. The major disposal route for unused and expired pharmaceuticals in Ghana is throwing them into dustbins. Although there are laws on the proper disposal patterns of drugs, these laws are poorly implemented. Sunyani is a fast-growing community with several health facilities that dispense medications daily. The purchase and use of medications among households are also high. However, no data exist on the disposal patterns of pharmaceuticals within the Sunyani Municipality. This study aims to identify the disposal patterns for unused and expired medications by households and pharmacies within the Sunyani Municipality, Ghana. A descriptive cross-sectional study was conducted among 400 persons in homes and 35 persons from randomly selected pharmacies and over-the-counter medication shops (OTCMs) within the Sunyani Municipality. A face-to-face interview approach using structured questionnaires for each respondent was employed. Household respondents disposed of unused and expired medications mainly through dumping in garbage cans (70.8%), incineration (11.5%), and flushing down the sink (9%). Pharmaceutical shop respondents also disposed of unused and expired medications into dump cans, by incineration, through the Food and Drugs Authority of Ghana, and took back to pharmaceutical wholesalers. Disposal practices observed in this study by households and pharmacy respondents were largely inappropriate. This could be due to the lack of education on the proper disposal patterns available to these respondents. It is recommended that guidelines on safe disposal be put in place, and a structured procedure for collecting unused and expired pharmaceuticals should be introduced.

Antibiotic and analgesic residues in the environment - Occurrence and ecological risk study from the Sunyani municipality, Ghana.

The presence of five antibiotics (metronidazole, ciprofloxacin, amoxicillin, doxycycline, and chloramphenicol) and four analgesics (diclofenac, ibuprofen, paracetamol, and caffeine) were investigated in water and soil samples from the Sunyani municipality, Ghana. Liquid samples were collected from hospital effluents, sachet drinking water, municipal waterworks, river Tano, and dumpsite leachates, while soil samples were collected from dumpsites and municipal waterworks. All samples were prepared using solid-phase extraction (SPE) and analyzed via an HPLC- PDA method. All antibiotics analyzed, apart from metronidazole, were detected either in soil or water samples. Doxycycline and ciprofloxacin were present in almost all liquid samples. The investigated hospital effluents had antibiotic concentrations of up to 2.93 mg/L for doxycycline and 4.74 mg/L for ciprofloxacin. The highest concentration of any antibiotic found was 8.76 mg/L of amoxicillin in hospital effluents. The maximum concentration of analgesics in liquid samples analyzed was 3.20 mg/L (paracetamol) and 3.00 mg/kg (caffeine) in soil samples. Ecological risk assessment indicated that the pharmaceuticals pose a possible risk to some aquatic organisms. The findings from this study showed the presence of these pharmaceuticals at concentrations that could impact the ecosystem. Consistent monitoring of environmental levels and pursuing the development and implementation of a suitable remediation program is needed.

Essential Oils from the Fruits and Leaves of Spondias mombin Linn.: Chemical Composition, Biological Activity, and Molecular Docking Study.

This work focused on characterizing the chemical constituents and evaluating the antioxidant and antimicrobial activities of the essential oils obtained from the fruit and leaves of Spondias mombin-a flowering plant of the Anacardiaceae family. Essential oils were extracted through steam distillation and characterized by gas chromatography-mass spectrometry. For the fruit essential oil, 35 compounds were obtained, and 25 compounds were identified in the leaf essential oil. The dominant compounds present in the fruit essential oil were (E)-ethyl cinnamate (14.06%) and benzyl benzoate (12.27%). Methyl salicylate (13.05%) and heptacosane (12.69%) were the abundant compounds in the leaf essential oil. The antioxidant activity of the essential oils was evaluated via phosphomolybdenum, hydrogen peroxide scavenging, 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging, and thiobarbituric acid reactive substances (TBARS) assays. The total antioxidant capacity of fruit and leaf essential oils was 48.5 ± 0.7 µg/gAAE and 48.5 ± 0.7 µg/g AAE, respectively. The half maximal scavenging concentrations of the essential oils in the hydrogen peroxide; DPPH and TBARS assays ranged from 252.2 µg/mL to 2288 µg/mL. The antimicrobial activity of the essential oils was tested using broth dilution and disc diffusion assays against eight microorganisms. The essential oils exhibited broad-spectrum antimicrobial activity against the microorganisms with minimum inhibitory concentrations of 9.75-50 mg/mL. Also, the zones of inhibition of the oils ranged from 12 mm to 25 mm. The biofilm inhibitory activities of the oils were dose-dependent with BIC50 values of 42.49 ± 0.1 mg/mL and 97.34 ± 0.6 mg/mL for fruit and leaf essential oils, respectively. Molecular docking studies revealed that the antibiofilm action of the fruit and leaf essential oils could be due to inhibition of the quorum sensing protein, LasR. The results suggest a possible application of the oils as antioxidant and antimicrobial agents.

N-alkylimidazole derivatives as potential inhibitors of quorum sensing in Pseudomonas aeruginosa.

Antimicrobial resistance is a threat to global public health. Microbial resistance is mediated by biofilm formation and virulence behavior during infection. Quorum sensing (QS), a cell-to-cell communication is frequently used by microbes to evade host immune systems. Inhibiting QS channels is a potential route to halt microbial activities and eliminate them. Imidazole has been shown to be a potent warhead in various antimicrobial agents. This study aims to evaluate alkyl-imidazole derivatives as potential inhibitors of QS and to explore the interactions of the compounds with LasR, a key protein in the QS machinery of Pseudomonas aeruginosa. The study revealed that imidazole derivatives with longer alkyl chains possessed better antimicrobial activities. Octylimidazole and decylimidazole emerged as compounds with better anti-virulence and biofilm inhibition properties while hexylimidazole showed the best inhibitory activity against Pseudomonas aeruginosa PAO1. The binding affinity of the compounds with LasR followed a similar trend as that observed in the QS inhibitory assays, suggesting that interaction with LasR may be important for QS inhibition.