Screening Of Bioactive Compounds Research Articles

Screening of Bioactive Compounds, Antioxidant and Antimicrobial Properties in the Leaf Extracts of Two Castanopsis Species

ABSTRACT The phytochemical compounds in the leaf extracts of Castanopsis indica and C. tribuloides were evaluated, and their antioxidant and antimicrobial potential were assessed. The TPC was found to be 193.12 and 159.49 mg GAE g−1 dry weight, and the TFC was 108.12 and 96.49 mg QE g−1 dry weight, for C. indica and C. tribuloides, respectively. C. indica had higher DPPH scavenging activity, with an IC50 value of 15.10 μg mL−1. Both extracts showed substantial antimicrobial activity against the tested bacteria. GC-MS analysis showed the presence of 76 VoCs in C. indica leaf, and 71 VoCs in C. tribuloides.

Screening for Bioactive Compounds from Mulberry Leaves Combining Bio-Affinity Ultrafiltration with α-Glucosidase and Pancreatic Lipase

Screening for Bioactive Compounds from Mulberry Leaves Combining Bio-Affinity Ultrafiltration with α-Glucosidase and Pancreatic Lipase

In silico identification of compounds from Piper sarmentosum Roxb leaf fractionated extract inhibit interleukin-6 to prevent rheumatoid arthritis.

Objective: Medicinal herbs with a phytonutrient background has been applied globally as major alternatives to ameliorate the continuous increase in rheumatoid arthritis cases worldwide. We herein aimed to critically examine the bioactive components of the medicinal herb Piper sarmentosum Roxb leaf fractionated extract for its potential to inhibit the influx of interleukin-6 (IL-6) in rheumatoid arthritis. Methods: The Schrödinger platform was employed as the main computational acumen for the screening of bioactive compounds identified and reference compounds subjected to molecular simulation (MDS) for analyzing the stability of docked complexes to assess fluctuations and conformational changes during protein-ligand interactions. Results: The values of the simulatory properties and principal component analysis (PCA) revealed the good stability of these phytochemicals in the active pocket of interleukin-6 (IL-6). Discussion: Our findings reveal new strategies in which these phytochemicals are potential inhibitory agents that can be modified and further evaluated to develop more effective agents for the management of rheumatoid arthritis, thereby providing a better understanding and useful model for the reproduction and/or discovery of new drugs for the management of rheumatoid arthritis and its complications.

Study on the Anti-Mycobacterium marinum Activity of a Series of Marine-Derived 14-Membered Resorcylic Acid Lactone Derivatives.

With the emergence of drug-resistant strains, the treatment of tuberculosis (TB) is becoming more difficult and there is an urgent need to find new anti-TB drugs. Mycobacterium marinum, as a model organism of Mycobacterium tuberculosis, can be used for the rapid and efficient screening of bioactive compounds. The 14-membered resorcylic acid lactones (RALs) have a wide range of bioactivities such as antibacterial, antifouling and antimalarial activity. In order to further study their bioactivities, we initially constructed a 14-membered RALs library, which contains 16 new derivatives. The anti-M. marinum activity was evaluated in vitro. Derivatives 12, 19, 20 and 22 exhibited promising activity with MIC90 values of 80, 90, 80 and 80 μM, respectively. The preliminary structure-activity relationships showed that the presence of a chlorine atom at C-5 was a key factor to improve activity. Further studies showed that 12 markedly inhibited the survival of M. marinum and significantly reduced the dosage of positive drugs isoniazid and rifampicin when combined with them. These results suggest that 12 is a bioactive compound capable of enhancing the potency of existing positive drugs, and its effective properties make it a very useful leads for future drug development in combating TB resistance.

Phytochemical evaluation, embryotoxic, and teratogenic effects of Buwakan (Decalobanthus peltatus (L.) A.R.Simões & Staples) leaf extracts on duck embryo.

Decalobanthus peltatus is a woody vine that is commonly utilized in traditional Southeast Asian medicinal preparations. Despite the documented therapeutic uses of D. peltatus, there is hardly any information regarding its toxic effects on its consumers. In this study, crude leaf extracts (aqueous, methanol, ethyl acetate, and hexane) from D. peltatus were prepared and evaluated for their embryotoxicity and teratogenic effects. Phytochemical screening of bioactive compounds from the plants showed the presence of alkaloids, flavonoids, saponins, steroids, and tannins. In addition, investigations on the toxicity of the crude leaf extracts were determined using brine shrimp lethality assay, in which the LC50 was calculated. Results showed that the ethyl acetate leaf extract was the most toxic among the crude leaf extracts, with an LC50 of 14.54 ppm. Based on this result, ethyl acetate leaf extract was treated on duck embryos, and the alteration of vascular branching patterns in the chorioallantoic membrane was quantified. Gross morphological and histological analysis of the skin tissues from the treated duck embryos were also examined. We found significant reduction of primary and tertiary vessel diameters in the duck embryos treated with ethyl acetate leaf extracts in both concentrations compared to the control group. Treated duck embryos exhibited gross malformations, growth retardation, and hemorrhages on the external body surfaces at 1000 ppm. Histopathological analysis of the skin tissues from the 14-day-old treated duck embryos showed a reduced number of feather follicles compared to the control group. These results suggest that D. peltatus crude leaf extracts present risks when taken in significant dosages and comprehensive toxicity testing on therapeutic herbs should be performed to ensure their safety on the consumers.

In-silico screening of bioactive compounds from nut grass (Cyperus rotundus) to inhibit the α-bungarotoxin from Kraits (Bungarus spp.) venom

ABSTRACT Kraits (Bungarus spp.) are the snakes that commonly cause fatal bites in Tropical Asia due to their neurotoxic venom. The complex process of antivenom production contributes to the lack of available antivenom and amplifies the burden of snakebite in that region. Thus, the victims seek traditional medicine such as root extract from nut grass (Cyperus rotundus). In the present study, we utilized bioinformatics methods to analyze the potential inhibitory activity of bioactive compounds from nut grass (Cyperus rotundus) against kraits’ α-bungarotoxin. Twenty-one bioactive compounds were screened using ADMET, membrane permeability prediction, molecular docking and molecular dynamics simulations. Among these bioactive compounds, we found that alpha-cyperone, cyperol, cyperusol, rotundine A, rotundine B and 4,6,3’,4’-Tetramethoxyaurone had inhibitory activity by presenting a good ability to pass phospholipid bilayer and could bind stably into active sites of α-bungarotoxin with minimum energy required. Importantly, the neutralization property of these bioactive compounds resides in their combinational function, underscoring the crucial significance of their combined action rather than individual contributions. In conclusion, this study identifies a combination of six bioactive compounds from C. rotundus with a potential as an alternative antivenom based on in-silico screening and provides essential data for the development of a plant-based antivenom.

Harnessing regulatory networks in Actinobacteria for natural product discovery.

This review provides insights into advances in experimental and computational methods aimed at predicting transcription factor binding sites and their applications to guide natural product discovery.

Luminescent solid-state carbon dots synthesized based on the one-step hydrothermal method for the immobilization of α-glucosidase and imaging screening of enzyme inhibitors

Modern pharmacology studies have demonstrated that α-glucosidase is closely associated with a variety of metabolic disorders. Natural herbs have emerged as possible sources of α-glucosidase inhibitors (AGIs) in recent years. Thus far, highly selective screening of biologically active chemicals in complicated mixtures using ligand fishing approaches has not been able to achieve biomedical imaging, which is critical for real-time identification. Hence, this paper presented a novel technique for screening potential AGIs in Scutellaria baicalensis by utilizing fluorescent carbon dots that have been immobilized with α-glucosidase (α-glu-NH2-CDs). The synthesized carbon dots materials exhibited excellent fluorescence properties, biocompatibility, and an abundance of functional groups, as demonstrated by the utilization of several techniques. The activity of α-glucosidase covalently linked to the material under ideal immobilization conditions was 86.81% of that of the free form. The immobilized α-glucosidase also exhibited great temperature stability, pH stability and reusability according to an examination of its enzymatic characteristics. As a result, three ligands were identified as potential AGIs, i.e., baicalein, wogonin and scullcapflavone II by UPLC-MS/MS. The molecular docking and enzyme inhibition test indicated that the isolated compounds exhibited significant α-glucosidase inhibitory activities. Moreover, the proliferation inhibitory activity of the screened ligands on HCT-116 cells was further verified morphologically using in situ imaging technique. These results strongly suggested that the established method, which combined ligand fishing with in situ visual imaging, not only screen and separate the potential AGIs in Scutellaria baicalensis quickly and effectively, but also provide an effective platform for screening bioactive compounds on different receptors.

Screening of Bioactive Compounds of the Brown Algae Turbinaria ornata (Turner) J. Agardh, 1848 From The Coastal Waters of Aboru Village, Central Maluku Indonesia

One of the most important communities in the seawater ecosystems is the brown algae where Turbinaria ornate is a brown alga species which is rich in nutrients and bioactive compounds. The bioactive components of T. ornata are beneficial for people living along the coast, particularly in Maluku region, an archipelagic region, as well as for the medical and pharmaceutical sectors. The research sample was the brown algae T.ornata obtained from the coastal waters of Aboru Village. Screening of bioactive compounds was carried out qualitatively using different reagents and indicated by the appropriate color change to ensure the presence of bioactive compounds which include phenolics, tannins, flavonoids, saponins, triterpenoids, steroids, alkaloids and anthocyanins. This study's findings demonstrated that while triterpenoids, quinones, and anthocyanins were absent, tannins, saponins, alkaloids, steroids, phenolics, and flavonoids were present in high concentrations. In conclusion, T. ornata includes bioactive compounds like tannins, saponins, alkaloids, steorids, phenolics, and flavonoids, according to this study's findings. Keywords: bioactive compound, brown algae, qualitative screening, Turbinaria ornata

Eriodictyol Flavanones Based Virtual Screening of Bioactive Compounds from ChEMBL 2D Database with Classic 3-point Pharmacophore Screening Method for HER2 Inhibitors for Breast Cancer

Understanding binding interactions between flavanones and human epidermal growth factor receptor 2 (HER2) is an important step in developing effective treatments for breast cancer, and this study applies computational methods to do just that. This research presents a comprehensive computational methodology for identifying potential HER2 inhibitors with a focus on breast cancer treatment. The study leverages a combination of structural and pharmacophore-based approaches, starting with bioactive compound selection from the ChEMBL 2D database. The PDB-REDO refined crystal structure of Kinase domain of Human HER2 (erbB2) was used to conduct molecular docking simulations with the identified drugs. The Kleywegt-like plot analysis demonstrates the improved structural quality of the HER2 kinase domain after refinement, showing enhanced agreement with experimental data. Molecular docking simulations, conducted using the AutoDock tool, reveal the binding affinity and interaction patterns of selected compounds with the HER2 receptor. Virtual screening results highlight compounds with high binding affinity, favorable interaction patterns, and structural compatibility as potential lead candidates. To ensure safety and efficacy, ADMETox filtering was employed, providing insights into the compound’s toxicity profile and pharmacokinetic attributes. The selected compound, Eriodictyol (C20H20O6), exhibits a generally favorable safety profile, with predicted inactivity across multiple toxicity classifications and endpoints. While immunotoxicity is predicted, the overall low probabilities suggest a relatively low risk. Physicochemical and pharmacokinetic assessments indicate Eriodictyol’s potential for drug development. With a molecular weight of 356.37 g/mol, balanced lipophilicity, and high gastrointestinal absorption, the compound aligns with drug-likeness criteria. However, careful consideration is warranted due to its inhibitory effects on certain enzymes and alerts for catechol_A and isolated_alkene. In conclusion, this integrated computational approach streamlines the identification of potential HER2 inhibitors, offering a systematic strategy for drug discovery. Eriodictyol emerges as a promising candidate, demonstrating a favorable safety profile and pharmacokinetic attributes, paving the way for further in-depth studies and development as a potential therapeutic agent for breast cancer.

Efficient screening of pancreatic lipase inhibitors from Rheum palmatum by affinity ultrafiltration-high-performance liquid chromatography combined with high-resolution inhibition profiling.

Pancreatic lipase is one of the most important key targets in the treatment of obesity. Inhibition of pancreatic lipase can effectively reduce lipid absorption and treat obesity and other related metabolic disorders. The goal of this study is the efficient screening of pancreatic lipase inhibitors in the root and rhizome of Rheum palmatum using affinity ultrafiltration-high-performance liquid chromatography (AUF-HPLC) combined with high-resolution inhibition profiling (HRIP). Potential pancreatic lipase ligands and pancreatic lipase inhibitors in ethyl acetate fraction of R. palmatum were screened using AUF-HPLC and HRIP, respectively. All screened compounds were identified by HPLC- quadrupole time-of-flight (Q-TOF)/MS. Eight compounds were screened out by both AUF-HPLC and HRIP, and six compounds were screened out by either AUF-HPLC or HRIP alone. The pancreatic lipase inhibitory activities of all screened compounds were verified by enzyme inhibition assay and molecular docking. Five new potent pancreatic lipase inhibitors were discovered, namely procyanidin B5 3,3'-di-O-gallate (IC50 = 0.06 ± 0.01 μM), 1,6-di-O-galloyl-2-O-cinnamoyl-β-D-glucoside (IC50 = 12.83 ± 0.67 μM), 1-O-(1,3,5-trihydroxy)phenyl-2-O-galloyl-6-O-cinnamoyl-β-D-glucoside (IC50 = 17.84 ± 1.33 μM), 1,2-di-O-galloyl-6-O-cinnamoyl-β-D-glucoside (IC50 = 18.39 ± 1.52 μM), and 4-(4'-hydroxyphenyl)-2-butanone-4'-O-β-D-(2"-O-galloyl-6"-O-cinnamoyl)-glucoside (IC50 = 2.91 ± 0.40 μM). It was found that procyanidin B5 3,3'-di-O-gallate showed higher pancreatic lipase inhibitory activity than the positive control orlistat (IC50 = 0.12 ± 0.02 μM). The combination of affinity ultrafiltration-high-performance liquid chromatography (AUF-HPLC) and high-resolution inhibition profiling (HRIP) could reduce the risk of false-negative screening and missed screening and could achieve more efficient screening of bioactive compounds in complex natural products.

Modulating Effects of Vitamin K2 on Oxidative Stress Induced Organelle Damage in Alzheimer’s Disease

AbstractBackgroundCurrent treatment strategies for AD are either involved in an improved amyloid‐beta precursor protein (APP) processing via inhibition and/or activation of enzymatic machinery. Whereas, others drug regimen includes the use of putative tau kinase inhibitors, microtubule stabilizers and tau immunotherapies. Moreover, therapies to combat oxidative stress are currently being devised because oxidative stress plays a major role innneurodegeneration. Interestingly, current studies are being focused on the screening of bioactive compounds for their effect on prevention of Aβ formation, oxidative stress reduction and targeting organelle dysfunction, which will potentiate the use of bioactive compounds to prevent AD in early stages. Vitamin K2 is one of the bioactive compounds which has gained importance for its role as an antioxidant.MethodTo understand the neuroprotective effect of vitamin K2 during metabolic complications, SH‐SY5Y cells were treated with streptozotocin for 24 h and menadione for 2 h in a dose dependent manner, followed by the post treatment of vitamin K2 for 5 h. Modulating effects of vitamin K2 on cell viability, Lactate Dehydrogenase release, reactive oxygen species (ROS), mitochondrial membrane potential, ER stress marker (CHOP), an indicator of unfolded protein response (UPR) p‐IRE1α, GSK 3α/β, total tau and Aβ 42 were studied.ResultVitamin K2 significantly reduced the neuronal cell death by inhibiting the cytotoxicity, ROS levels and helped in the retainment of mitochondrial membrane potential. Moreover, vitamin K2 significantly decreased the expression of CHOP protein along with the levels and the nuclear localization of p‐IRE1 α, thus showing its significant role in inhibiting chronic ER stress mediated UPR and eventually apoptosis. In addition, Vitamin K2 significantly downregulated the expression of GSK 3 α/β together with the levels of total tau protein, with petite effect on secreted Aβ 42 levels.ConclusionVitamin K2 ameliorated mitochondrial damage, ER stress and tauopathy mediated neuronal cell death, highlighting its role as a novel antioxidative therapeutics targeting related cellular processes.

Assessment of antidiabetic, anti-inflammatory, antioxidant and anticancer activity competence of methonolic extracts of Trianthema ortulacastrum and Andrographis paniculata

An in-vitro investigation was performed to evaluate and compare the phytochemical, antioxidant, antidiabetic, anti-inflammatory, and anti-lung cancer activities of methanol extracts of aerial parts of Andrographis paniculata and Trianthema portulacastrum. Furthermore studied major functional groups of phytochemicals present in the methanol extracts of these plants through Fourier transform infrared (FTIR) analysis. The results showed that the methanol extract of A. paniculata contain more number of pharmaceutically valuable phytochemicals such as alkaloids, flavonoids, terpenoids, saponin, glycoside, phytosterol, and tannin than T. portulacastrum. Similar way the methanol extract of A. paniculata showed considerable dose dependent antioxidant (DPPH: 63%), antidiabetic (α-amylase: 82.31% and α-glucosidase inhibitions: 72.34%), and anti-inflammatory (albumin-denaturation inhibition: 76.3% and anti-lipoxygenase: 61.2%) activities (at 900 μg mL−1 concentration) than T. portulacastrum. However, the anti-lung cancer activities of these test plants against A549 cells were not considerable. According to FTIR analysis, the A. paniculata methanol extract has a larger number of characteristic peaks attributed to the active functional groups of pharmaceutically valuable bioactive components that belong to different types of phytochemicals. These findings imply that A. paniculata methanol extracts can be used for additional research, such as bioactive compound screening and purification, as well as assessing their potential biomedical uses in various in-vitro and in-research settings.

Optimization of Pluchea indica (L.) leaf extract using ultrasound-assisted extraction and its cytotoxicity on the HT-29 colorectal cancer cell line

Colorectal cancer (CRC) is the most common malignancy and the third primary cause of cancer-related mortalities caused by unhealthy diet, hectic lifestyle, and genetic damage. People aged ≥ 50 are more at risk for CRC. Nowadays, bioactive compounds from plants have been widely studied in preventing CRC because of their anticancer and antioxidant properties. Herein, ultrasound-assisted extraction (UAE) was used to extract the bioactive compounds of Pluchea indica (L.) leaves. The resultant total phenolic content (TPC) and total flavonoid content (TFC) of P. indica (L.) leaves were analyzed using a response surface methodology (RSM). The central composite design was implemented to evaluate the amplitude (10 %–70 %) and treatment time (2–10 min) on both responses, i.e., TPC and TFC of P. indica (L.) leaves. The optimum UAE conditions were observed 40 % amplitude and 6 min of treatment, where the TPC and TFC were 3.26 ± 0.00 mg GAE/g d.w. and 67.58 ± 1.46 mg QE/g d.w., respectively. The optimum P. indica (L.) leaf extract was then screened for its cytotoxicity on the HT-29 colorectal cancer cell line. This extract had strong cytotoxicity with a half-maximal inhibitory concentration value (IC50) of 12 µg/mL. The phytochemical screening of bioactive compounds revealed that the optimal P. indica (L.) leaf extract contains flavonoids, namely, kaempferol 3-[2′'',3′'',5′''-triacetyl]-alpha-L-arabinofuranosyl-(1->6)-glucoside, myricetin 3-glucoside-7-galactoside, quercetin 3-(3′'-sulfatoglucoside), and kaempferol 7,4′-dimethyl ether 3-O-sulfate, which could be good sources for promising anticancer agents. This study employs the RSM approach to utilize UAE for bioactive compounds extraction of P. indica (L.) leaves, identified the specific compounds present in the optimized extract and revealed its potential in preventing CRC.

Anti-hypertensive and composition as well as pharmacokinetics and tissues distribution of active ingredients from Alpinia zerumbet

Alpinia zerumbet is a food flavor additive and a traditional medicine herb around the world. Several studies have reported that A. zerumbet has excellent effects on a variety of cardiovascular diseases, but its potential hypertensive applications, and pharmacokinetic features of main active substances have not been fully investigated. The mechanism of anti-hypertension with ethyl acetate extracts of A. zerumbet fruits (AZEAE) was evaluated by L-NNA-induced hypertensive rats and L-NAME-injured human umbilical vein endothelial cells (HUVECs). Blood pressure, echocardiographic cardiac index and H&E staining were used to preliminary evaluate the antihypertensive effect of AZEAE, the levels of TNF-α, IL-6, and IL-1β were evaluated by ELISA, and the proteins expression of IL-1β, IL-18, AGTR1, VCAM, iNOS, EDN1 and eNOS were also evaluated. In addition, isolation, identification, and activity screening of bioactive compounds were carried ou. Next, pharmacokinetics and tissues distribution of dihydro-5,6-dehydrokavain (DDK) in vivo were measured, and preliminary absorption mechanism was conducted with Caco-2 cell monolayers. AZEAE remarkably enhanced the state of hypertensive rats. Twelve compounds were isolated and identified, and five compounds were isolated from this plant for the first time. The isolated compounds also exhibited good resistance against injury of HUVECs. Moreover, pharmacokinetics and Caco-2 cell monolayers demonstrated AZEAE had better absorption capacity than DDK, and DDK exhibited differences in tissues distribution and gender difference. This study was the first to assess the potential hypertensive applications of A. zerumbet in vivo and vitro, and the first direct and concise study of the in vivo behavior of DDK and AZEAE.

Xanthium strumarium seed extract boosts osteogenesis in human dental pulp stem cell model

BackgroundIn traditional medicine, Xanthium strumarium is used as an anti-inflammatory and anti-arthritic plant-based medicine. Human Dental Pulp Stem Cells (hDPSCs) are an ideal in vitro model for drug and bioactive compound screening. This study assessed the potential of X. strumarium aqueous extract on hDPSCs differentiation towards the osteogenic lineage. Materials and methodsHDPSCs were isolated and cultured by explant method and characterized by surface marker expression, Colony Forming units fibroblasts (CFU-F), Population Doubling time (PDT), and tri-lineage differentiation. X. strumarium aqueous seed extract (XSE) was prepared and its cytotoxic effect on hDPSCs was examined by MTT assay. The effect of XSE on hDPSC differentiation into osteocytes was investigated by biochemical staining and gene expression. ResultsThe hDPSCs were positive for CD73, CD90, and CD105 and negative for CD34, CD45, and HLA-DR surface markers. The cells had a colony-forming ability with a PDT of 44.91 h. The hDPSCs differentiated into osteocytes, chondrocytes, and adipocytes. The XSE concentration of 15 μg/ml had a significant increase in hDPSC viability. Alizarin Red S staining revealed that XSE treatment enhanced calcium accumulation and matrix mineralization in hDPSCs. XSE treatment also increased osteonectin and IL-6 transcript expression in osteogenesis-induced hDPSCs. ConclusionX. strumarium aqueous extract is a suitable candidate for bone repair because it promotes osteogenic differentiation in hDPSCs. Therefore this could be explored further in the treatment of bone disorders.

In-silico Docking and Dynamics Simulation Analysis of Peroxisome Proliferator-Activated Receptor-Gamma and β-Carotene

Background:: Peroxisome proliferator-activated receptor-gamma (PPAR-γ) plays a crucial role in regulating lipid and glucose metabolism, cancer, and inflammation, making it an attractive target for drug development. Meanwhile, β-Carotene, known for its antioxidant, anticancer and antiinflammatory properties, holds promise for modulating PPAR-γ activity. Understanding their interaction is crucial. Objective:: This study aims to explore the therapeutic potential of β-carotene in modulating PPAR-γ activity by investigating their binding interactions. objective: To explore the potential therapeutic applications of β-carotene in modulating PPAR-γ activity, it is of great interest to comprehend the binding interactions between PPAR-γ and β-carotene. Methods:: Screening of bioactive compounds from PubChem was conducted using GlideXP to identify potential PPAR-γ (PDB: 2PRG) ligands. During this screening, both protein and bioactive compounds were prepared following established protocols. Subsequently, the compounds were docked into the ligand binding domain (LBD) of the protein using XP docking. Rosiglitazone was used as an internal control. β-Carotene emerged as a lead based on Lipinski’s rule, docking score, free energy, and LBD interactions. Molinspiration analysis assessed its drug likeness. Molecular dynamics (MD) simulations utilizing Desmond with OPLS 2005 force field were employed to examine the dynamics and stability of the PPAR-γ/β-carotene complex. Results:: β-carotene had strong hydrophobic interactions with specific residues within the ligandbinding domain of PPAR-γ. The calculated binding affinity (-9.07 kcal/mol) indicated a strong interaction between β-carotene and PPAR-γ, suggesting that β-carotene may modulate the activity of PPAR-γ. On a time scale of 100 ns, the MD simulations provided insights into the conformational changes, flexibility, and intermolecular interactions within the complex. Conclusion:: In silico docking and dynamics simulation analyses show that PPAR-γ and β-carotene can form a stable complex, suggesting potential implications for metabolic modulation.

Antimicrobial Activity of Basil (Ocimum basilicum L.) Against Gram-Negative Bacteria Involved in Pneumonia Infection

Infectious diseases are still a global problem, for example, acute respiratory infections (SARI). Resistance in pneumonia involving Gram-negative bacterial infection reduces the effectiveness of antibiotic use and increases the length of hospital stay. This study examines the potential of antimicrobial compounds from basil plants against isolates of Gram-negative bacteria involved in pneumonia infection. This research is an experimental study through several stages: basil extraction, initial screening of bioactive compounds, isolation and identification of bacteria from sputum, and testing for antimicrobial activity of basil extracts. Sputum samples were collected from 43 pneumonia patients (male and female) involving Klebsiella pneumoniae, Acinetobacter baumannii, Enterobacter aerogenes, Pseudomonas aeruginosa, Serratia marcescens, Proteus mirabilis, and Escherichia coli. The inhibitory activity against pathogenic bacteria was directly proportional to the basil extract concentration. Initial screening for phytochemical compounds showed that the extracts of basil leaves and stems contained active compounds of tannins and flavonoids. The 25% concentration of basil extract was the minimum inhibitory concentration (MIC) against the test bacteria. The 100% basil extract concentration produced the largest inhibition zone i.e., 10.93 mm. The overall findings of this study provide baseline information for the possible use of the Ocimum basilicum extract in the treatment of pneumonia involving Gram-negative bacteria.

Endophytic Bacillus aerophilus from the Leaves of Azadirachta indica as a Potential Biocontrol against Staphylococcus aureus

Aims: The study entailed isolation and identification of Bacillus aerophilus in the leaves of young Azadirachta indica plants, establishing the antimicrobial activity of the endophyte against Staphylococcus aureus, and screening for phytochemicals. The study investigated the potential of the endophytic Bacillus aerophilus in pathogen inhibition and phytochemical screening for bioactive compounds produced by the endophyte that can be used in drug development. The research contributes to the wider scientific goal of curbing rising cases of antibiotic resistance.
 Place and Duration of Study: Sample: collected from Kanyonyoo in Kitui County, between August 2022 and June 2023.
 Methodology: The bacteria were aseptically isolated and sub-cultured on nutrient agar. For identification, the bacteria underwent biochemical tests and molecular characterization. The 16S rRNA region was amplified and sequenced using universal primers 27F and 1492R. Bacterial isolate K1L003 was identified as Bacillus aerophilus. For antimicrobial testing, the agar disk diffusion method was used against pathogenic Staphylococcus aureus on Mueller Hinton Agar plates (MHA). The controls were doxycycline and vancomycin.
 Results: The endophytic isolate only inhibited Staphylococcus aureus (P < .001), with an inhibition mean similar to doxycycline (26 mm), against the pathogen. The endophytic isolate produced terpenoids, saponins, alkaloids, and flavonoids.
 Conclusion: Endophytic Bacillus aerophilus has better antimicrobial inhibition potential than vancomycin, against Staphylococcus aureus and produces diverse bioactive secondary metabolites. The endophyte has the potential to produce compounds that are useful in treating drug-resistant Staphylococcal infections.

In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging

Photoaging is skin aging caused by exposure to UV rays, which increases the expression of matrix metalloproteinase-1 (MMP-1). The photoaging process is related to the degradation of collagen types I and III in the extracellular matrix by MMP-1, which causes wrinkles on the skin. MMP-1 inhibitors from natural products have the potency as anti-photoaging. This study aims to screen the potency of bioactive compounds from Impatiens balsamina L. as MMP-1 inhibitors through in silico studies. The best test ligands were selected based on bioavailability, pharmacokinetics, toxicity, and molecular docking tests against the target protein MMP-1 (PDB ID: 1HFC) compared to that of control ligands (PLH and doxycycline). Peonidin, kaempferol, and pelargonidin were selected as the best test ligands because they accomplish the characteristics of bioavailability, pharmacokinetics, and toxicity. Based on molecular docking results, those test ligands have better binding affinity than that of control ligands, as indicated by rerank scores of -108.807 kcal/mol, -99.9796 kcal/mol, and -98.9128 kcal/mol, respectively. Those test ligands also formed the same interactions with control ligands at residues Ala182, Asn180, Glu219, and Leu181. The results suggest peonidin, kaempferol, and pelargonidin were candidates for anti-photoaging agents through MMP-1 inhibition.