Recent Advances in Anti-Infective Drug Discovery - Volume 21, Issue 1, 2026

Acne vulgaris is a prevailing inflammatory condition of the skin affecting areas with dense sebaceous glands, like the upper back, chest, face, and arms. It impacts approximately 85% of Americans aged 12 to 25, which can persist into adulthood. The condition is identified with pustules, comedones, papules, and nodules, comprising psychological and social effects comparable to chronic diseases like asthma.

This study explores the potential of herbal treatments as alternatives to conventional allopathic therapies for acne vulgaris, aiming to address underlying causes with fewer side effects.

A comprehensive literature review was conducted, examining clinical studies, traditional medicinal sources, and recent research on various herbs, including Melaleuca alternifolia (tea tree), Curcuma longa (turmeric), Azadirachta indica (neem), Aloe barbadensis (aloe vera), Camellia sinensis (green tea), Salvia rosmarinus (rosemary), and Amaranthushypochondriacus Linn (amaranths). Both topical and internal applications were considered, with a focus on topical treatments for ease of use. The databases PubMed, Web of Science, Cochrane Library, Google Scholar, ResearchGate, and ScienceDirect were the main sources of the data and content included in this review article. This helped to preserve transparency and increased the credibility of this review article.

Herbal medicines are gaining traction due to their minimal adverse effects and holistic approach. This study highlights promising results from several herbs in reducing acne symptoms and improving skin health, emphasizing the need for further clinical trials to substantiate these findings.

Herbal therapies offer a viable alternative for managing acne vulgaris, potentially providing a holistic solution beyond symptomatic relief. Continued research is important to understand their effectiveness and mechanisms of action fully.

The coronavirus disease 2019 (COVID-19) pandemic, caused the by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has had a profound impact on public health, overburdening healthcare systems, and disrupting global economies. Moreover, the absence of specific antiviral drugs remains a major challenge in COVID-19 treatment. The SARS-CoV-2 main protease (Mpro) is a crucial therapeutic target due to its essential role in viral replication. The objective of this study was to identify natural compounds with potential inhibitory activity against SARS-CoV-2 Mpro, which could be used alone or in combination with repositioned drugs for the treatment of COVID-19.

A total of 224,205 natural compounds from the ZINC database were virtually screened against SARS-CoV-2 Mpro using a sequential molecular docking protocol with increasing levels of exhaustiveness. The top 88 compounds were further evaluated using MM-GBSA calculations to determine their binding free energies. Molecular dynamics (MD) simulations (100 ns) were conducted for the top four compounds to assess complex stability and ligand interactions. Structural stability and protein-ligand interactions were assessed using various statistical parameters. Post-MD binding free energy calculations were also performed.

Four compounds, ZINC000085626103, ZINC000085625768, ZINC000085488571, and ZINC000085569275, were identified based on their docking scores (ranging from -11.876 to -12.682 kcal/mol) and MM-GBSA binding energies (ranging from -50.11 to -64.8 kcal/mol). All these compounds formed stable complexes with Mpro during MD simulations, with ZINC000085488571 exhibiting the lowest protein RMSD (0.15 ± 0.02 nm) and RMSF (0.10 ± 0.04 nm). These compounds interacted with key active site residues and maintained stable hydrogen bonding and compact structures throughout the simulation. Post-simulation binding free energy values ranged from -38.29 to -18.07 kcal/mol, further indicating strong and stable binding affinities.

The in silico screening results confirmed the strong binding affinity and structural stability of the selected natural compounds at the SARS-CoV-2 Mpro active site. The MD simulation results further highlighted consistent engagement with catalytically relevant residues, indicating their potential for inhibitory activity.

This study identifies four natural compounds with strong binding affinity and structural stability against SARS-CoV-2 Mpro, supporting their candidacy for further investigation as potential antiviral agents for COVID-19 treatment.

Nanoparticles obtained through green synthesis play remarkable roles in biomedical applications. Urinary tract infections (UTIs) are a nightmare for the mass population, especially for women, and quinolone-resistant UTI bacteria worsen the situation. Our current investigation aimed to control quinolone-resistant pathogenic UTI bacteria with green-synthesized silver nanoparticles (AgNPs).

Visual observation of color change, UV-Vis spectroscopic analysis, FTIR (Fourier Transform Infrared Spectroscopy), DLS (Dynamic Light Scattering), XRD (X-ray Diffraction), and TEM (Transmission Electron Microscopy) techniques were used to effectively characterize the biosynthesized AgNPs. Klebsiella variicola, Pseudomonas sp., and Staphylococcus epidermidis bacteria were isolated and identified using biochemical and molecular identification techniques from urine samples of hospitalized patients with UTI. These bacteria showed quinolone resistance to up to fourth-generation antibiotics.

The results elucidated the synthesis of spherical-shaped nano-silvers coated with Punica granatum polyphenols. These biosynthesized AgNPs showed moderate polydispersity and narrow distribution. The antibacterial efficiency of the AgNPs was determined against isolated bacterial strains. Klebsiella variicola and Staphylococcus epidermidis exhibited the highest sensitivity to the nanoparticles. Nanoparticles at a concentration of 128 µg/ml inhibited bacterial growth to a great extent and gave a maximum inhibition zone of 14.67 ± 0.577 mm in diameter for both bacterial strains. In addition, toxicity analysis of synthesized nanoparticles via brine shrimp lethality assay (BSLA) showed a very low cytotoxicity level (2398.83 µg/ml), depicting safety for human use.

We can conclude that Punica granatum leaf-synthesized AgNPs could possess significant biomedical applications as potential antibacterial agents due to their bactericidal activity and low cytotoxicity.