This study evaluated the in vitro antibacterial effect and the phytochemical profile of aqueous extract of fresh mature leaves of Asystasia variabilis, a Sri Lankan indigenous plant, against four common wound infective bacteria (Staphylococcus aureus, Bacillus subtilis, Pseudomonas aeruginosa and Escherichia coli) using Kirby-Bauer disk diffusion test. Gentamicin 10 μg/ disk and distilled water was used as positive and negative controls respectively The study revealed, for the first time, that the extract possessed significant antibacterial activity against all four test organisms in a concentration dependent manner (r values ranging from 0.921-0.992, P<0.01) with inhibition zone diameters ranging between 8 and 28 mm. Highest antibacterial activity was exhibited against B. subtilis at 1000 μg/ disk (27.43-+0.02 mm). The extract showed inhibitory effects comparable to gentamicin towards B. subtilis and P. aeruginosa at 500 μg/ disk and towards E. coli and S. aureus at 1000 μg/ disk. Qualitative phytochemical screening revealed the presence of flavonoids, tannins, phenols, cardiac glycosides, amino acids, carbohydrates, alkaloids and saponins. Therefore it is likely that the antibacterial effect of the extract is mediated by synergistic mechanisms. Furthermore, results of this study scientifically justified the claim traditional and folk medicine in the treatment of abscesses, wounds and ulcers and indicated the potential for the development of a novel drug from mature leaves of Asystasia variabilis.

Moringa oleifera, known for its medicinal properties, contains bioactive compounds such as polyphenols and flavonoids with diverse therapeutic potentials, including anti-cancer effects. This study investigates the efficacy of M. oleifera leaf phytochemicals in inhibiting BCL-2, a critical protein involved in cancer cell survival. For the first time, multi-ligand simultaneous docking (MLSD) has been employed to understand the anti-cancer properties of M. oleifera leaf extract. Molecular docking techniques, including single-ligand and MLSD, were used to assess binding interactions with BCL-2. Single-ligand docking revealed strong binding affinities for compounds such as niazinin, alpha carotene, hesperetin, apigenin, niaziminin B, and niazimicin A, with some compounds even surpassing Venetoclax, a commercial BCL-2 inhibitor. MLSD highlighted inter-ligand interactions among apigenin, hesperetin, and niazimicin A, exhibiting a binding affinity of -14.96 kcal/mol, indicating a synergistic effect. These results shed light on the potential synergistic effects of phytochemicals when using multi-ligand simultaneous docking, underscoring the importance of considering compound interactions in the development of therapeutic strategies.

In the emerging field of computational gastronomy, aligning culinary practices with scientifically supported nutritional goals is increasingly important. This study explores how large language models (LLMs) can be applied to optimize ingredient substitutions in recipes, specifically to enhance the phytochemical content of meals. Phytochemicals are bioactive compounds found in plants, which, based on preclinical studies, may offer potential health benefits. We fine-tuned models, including OpenAI's GPT-3.5, DaVinci, and Meta's TinyLlama, using an ingredient substitution dataset. These models were used to predict substitutions that enhance phytochemical content and create a corresponding enriched recipe dataset. Our approach improved Hit@1 accuracy on ingredient substitution tasks, from the baseline 34.53 plus-minus 0.10% to 38.03 plus-minus 0.28% on the original GISMo dataset, and from 40.24 plus-minus 0.36% to 54.46 plus-minus 0.29% on a refined version of the same dataset. These substitutions led to the creation of 1,951 phytochemically enriched ingredient pairings and 1,639 unique recipes. While this approach demonstrates potential in optimizing ingredient substitutions, caution must be taken when drawing conclusions about health benefits, as the claims are based on preclinical evidence. Future work should include clinical validation and broader datasets to further evaluate the nutritional impact of these substitutions. This research represents a step forward in using AI to promote healthier eating practices, providing potential pathways for integrating computational methods with nutritional science.

Gold and silver nanoparticles are nanoparticles that have been widely used in various fields and have shown good benefits. The method of nanoparticle biosynthesis utilizing plant extracts, also known as green synthesis, has become a promising method considering the advantages it has compared to other synthesis methods. This review aims to give an overview of the phytochemical compounds in plants used in the synthesis of gold and silver nanoparticles, the nanoparticle properties produced using plant extracts based on the concentration and structure of phytochemical compounds, and their applications. Phytochemical compounds play an important role as reducing agents and stabilizers in the stages of the synthesis of nanoparticles. Polyphenol compounds, reducing sugars, and proteins are the main phytochemical compounds that are responsible for the synthesis of gold and silver nanoparticles. The concentration of phytochemical compounds affects the physical properties, stability, and activity of nanoparticles. This is important to know to be able to overcome limitations in controlling the physical properties of the nanoparticles produced. Based on structure, the phytochemical compounds that have ortho-substituted hydroxyl result in a smaller size and well-defined shape, which can lead to greater activity and stability. Furthermore, the optimal condition of the biosynthesis process is required to gain a successful reaction that includes setting the metal ion concentration, temperature, reaction time, and pH.

Simple Summary Breast cancer is a concern for the healthcare system. Even with the advancement of science and technology, the current system for therapeutics and diagnostics seems to have numerous pitfalls. Phytochemical-mediated nanocarriers come into the picture to outrange the drawbacks of the conventional breast cancer management method. Phytochemicals have been a useful tool since time immemorial, and developing a sophisticated fusion of these chemicals with nanocarrier enhanced its effectiveness. This ensures targeted, time-controlled drug delivery. This article emphasizes the development of phytochemical-based nanocarriers corresponding to breast cancer. Moreover, the article presents the unhighlighted parts of the therapeutical industry to help patients. Enhancing patients’ quality of life would uplift the healthcare system. Abstract As the world’s most prevalent cancer, breast cancer imposes a significant societal health burden and is among the leading causes of cancer death in women worldwide. Despite the notable improvements in survival in countries with early detection programs, combined with different modes of treatment to eradicate invasive disease, the current chemotherapy regimen faces significant challenges associated with chemotherapy-induced side effects and the development of drug resistance. Therefore, serious concerns regarding current chemotherapeutics are pressuring researchers to develop alternative therapeutics with better efficacy and safety. Due to their extremely biocompatible nature and efficient destruction of cancer cells via numerous mechanisms, phytochemicals have emerged as one of the attractive alternative therapies for chemotherapeutics to treat breast cancer. Additionally, phytofabricated nanocarriers, whether used alone or in conjunction with other loaded phytotherapeutics or chemotherapeutics, showed promising results in treating breast cancer. In the current review, we emphasize the anticancer activity of phytochemical-instigated nanocarriers and phytochemical-loaded nanocarriers against breast cancer both in vitro and in vivo. Since diverse mechanisms are implicated in the anticancer activity of phytochemicals, a strong emphasis is placed on the anticancer pathways underlying their action. Furthermore, we discuss the selective targeted delivery of phytofabricated nanocarriers to cancer cells and consider research gaps, recent developments, and the druggability of phytoceuticals. Combining phytochemical and chemotherapeutic agents with nanotechnology might have far-reaching impacts in the future.

Background The emergence and spread of resistant microbes continue to be a major public health concern. Effective treatment alternatives, particularly from traditionally used medicinal plants, are needed. Objective The main objective of this study was to conduct phytochemical screening and antimicrobial activity evaluation of selected traditionally used medicinal plants in Ethiopia. Methods The ethnomedicinal use value frequency index (FI) was used to select twelve medicinal plants. Phytochemical classes of compounds were screened using different standard methods. Anti-microbial activities of plant extracts were evaluated against Klebsiella pneumoniae, Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli, and Candida albicans. Minimum inhibitory concentrations were measured using the broth micro-dilution method. The data were analyzed using Statistical Package for the Social Sciences (SPSS) version 21.0 and the findings were presented descriptively and using non parametric one-way ANOVA analysis (Kruskal–Wallis/Ddunn’s test). Results The phytochemical constituents identified were flavonoids, alkaloids, glycosides, phenols, saponins, steroids, and terpenoids, with flavonoids, alkaloids, and phenols being the most abundant. The crude extracts and chloroform fractions of the extracts showed an activity against the tested strains. The crude extract of Thalictrum rhynchocarpum Quart.-Dill. and A.Rich root demonstrated superior activity against all the tested strains with the lowest minimum inhibitory concentrations of 0.48 μg/mL against Staphylococcus aureus and Escherichia coli; 0.98 μg/mL against Klebsiella pneumoniae, Pseudomonas aeruginosa; and 3.90 μg/mL against Candida albicans, which are even better than the reference drug, gentamicin and clotrimazole. Conclusion The majority of evaluated medicinal plants demonstrated remarkable activity against tested microbial strains, which can be attributed to the presence of secondary metabolites of different classes of compounds. The finding provided scientific evidence for the use of these traditionally used medicinal plants.

Compilation, curation, digitization and exploration of the phytochemical space of Indian medicinal plants can expedite ongoing efforts toward natural product and traditional knowledge based drug discovery. To this end, we present IMPPAT 2.0, an enhanced and expanded database, compiling manually curated information on 4010 Indian medicinal plants, 17967 phytochemicals, 1095 therapeutic uses and 1133 traditional Indian medicinal formulations. Notably, IMPPAT 2.0 compiles associations at the level of plant parts, and provides a FAIR compliant non-redundant in silico stereo-aware library of 17967 phytochemicals from Indian medicinal plants. The phytochemical library has been annotated with several useful properties to enable easier exploration of the chemical space. We also filtered a subset of 1335 drug-like phytochemicals of which majority have no similarity to existing approved drugs. Using cheminformatics, we have characterized the molecular complexity and molecular scaffold based structural diversity of the phytochemical space of Indian medicinal plants, and performed a comparative analysis with other chemical libraries. Altogether, IMPPAT is the largest phytochemical atlas of Indian medicinal plants which is accessible at: https://cb.imsc.res.in/imppat/.

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Psidium guajava (L.) belongs to the Myrtaceae family and it is an important fruit in tropical areas like India, Indonesia, Pakistan, Bangladesh, and South America. The leaves of the guava plant have been studied for their health benefits which are attributed to their plethora of phytochemicals, such as quercetin, avicularin, apigenin, guaijaverin, kaempferol, hyperin, myricetin, gallic acid, catechin, epicatechin, chlorogenic acid, epigallocatechin gallate, and caffeic acid. Extracts from guava leaves (GLs) have been studied for their biological activities, including anticancer, antidiabetic, antioxidant, antidiarrheal, antimicrobial, lipid-lowering, and hepatoprotection activities. In the present review, we comprehensively present the nutritional profile and phytochemical profile of GLs. Further, various bioactivities of the GL extracts are also discussed critically. Considering the phytochemical profile and beneficial effects of GLs, they can potentially be used as an ingredient in the development of functional foods and pharmaceuticals. More detailed clinical trials need to be conducted to establish the efficacy of the GL extracts.

Presently, there are no approved drugs or vaccines to treat COVID-19 which has spread to over 200 countries and is responsible for over 3,65,000 deaths worldwide. Recent studies have shown that two human proteases, TMPRSS2 and cathepsin L, play a key role in host cell entry of SARS-CoV-2. Importantly, inhibitors of these proteases were shown to block SARS-CoV-2 infection. Here, we perform virtual screening of 14010 phytochemicals produced by Indian medicinal plants to identify natural product inhibitors of TMPRSS2 and cathepsin L. We built a homology model of TMPRSS2 as an experimentally determined structure is not available. AutoDock Vina was used to perform molecular docking of phytochemicals against TMPRSS2 model structure and cathepsin L crystal structure. Potential phytochemical inhibitors were filtered by comparing their docked binding energies with those of known inhibitors of TMPRSS2 and cathepsin L. Further, the ligand binding site residues and non-covalent protein-ligand interactions were used as an additional filter to identify phytochemical inhibitors that either bind to or form interactions with residues important for the specificity of the target proteases. We have identified 96 inhibitors of TMPRSS2 and 9 inhibitors of cathepsin L among phytochemicals of Indian medicinal plants. The top inhibitors of TMPRSS2 are Edgeworoside C, Adlumidine and Qingdainone, and of cathepsin L is Ararobinol. Interestingly, several herbal sources of identified phytochemical inhibitors have antiviral or anti-inflammatory use in traditional medicine. Further in vitro and in vivo testing is needed before clinical trials of the promising phytochemical inhibitors identified here.