Introduction: This study aimed to develop and optimize a Bauhinia purpurea L. leaf extract- based gel and evaluate its anti-inflammatory potential using a Quality by Design (QbD) approach. Methods: Significant anti-inflammatory activity was predicted by molecular docking studies against the target receptor (PDB ID: 4IKI), and in vitro and in vivo tests confirmed this prediction. A Central Composite Design (CCD) was used to optimize the formulation, with β-sitosterol and indomethacin as reference standards. The pharmacological appropriateness and safety of the active ingredients were verified by ADMET profiling. Results: The BPE 4 formulation was optimized using CCD, yielding the anticipated PDI and % EE values of 0.755 and 84.73, respectively. Desired formulation characteristics were demonstrated through thorough physicochemical characterization, including FTIR, zeta potential, particle size, SEM, entrapment efficiency, viscosity, spreadability, and pH measurements. Spectrophotometric measurements of the drug content were made at 279 nm. Within seven hours, the optimized gel showed an 84.43% drug release. Discussion: The formulation demonstrated significant anti-inflammatory action in formalininduced paw edema models, outperforming the crude extract. Histological analysis provided additional evidence of tissue healing and decreased inflammation. Conclusion: Compared with the extract, the Bauhinia purpurea gel showed improved overall antiinflammatory activity. Its potential as a safe and efficient topical treatment candidate is supported by the combined results of in vitro, in vivo, and in silico research.

Introduction: COVID-19, arising from infection with severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), has emerged as a worldwide pandemic and posed a significant risk to the global healthcare system since early 2020. Accelerated dissemination of SARS-CoV-2 and frequent mutations in its genome have raised concerns about the efficacy of existing therapeutic approaches. As a key enzyme in SARS-CoV-2 replication, RNA-dependent RNA polymerase (RdRp) is a viable target for the development of antiviral drugs. The potential of dietary polyphenols as RdRp inhibitors has not been fully explored, especially in the context of variant-specific mutations, despite substantial research on antiviral medications like remdesivir. This study advances the field of RdRp inhibitor research by focusing on plant-based polyphenols and evaluating their binding stability against mutated RdRp in Indian SARS-CoV-2 variants, offering novel strategies to counter mutation-driven resistance. Methods: In this study, we examined the binding interactions between polyphenols and SARSCoV-2 RdRp using bioinformatic approaches to assess their therapeutic potential against COVID19. Additionally, the structural dynamics of the mutated RdRp protein were analyzed, and molecular docking was conducted with the top compounds to determine whether the mutation influenced their binding affinity. Results: Four polyphenols, namely 10'-hydroxyusambarensine, Cyanidin 3-arabinoside, Cordifolide A, and Usararotenoid A, exhibited higher binding affinity to SARS-CoV-2 RdRp than remdesivir. Sequences of RdRp from Indian SARS-CoV-2 variants were compared to the original strain from Wuhan, revealing mutations at Y175, W290, Y346, H347, K478, and R583, which changed the structural dynamics as well as intra-atomic interactions. However, none of the mutations appeared at the polyphenol-binding sites, and subsequent docking demonstrated that 10'- Hydroxyusambarensine, Cyanidin-3-arabinoside, Cordifolide A, and Usararotenoid A retained binding affinities comparable to those observed for the wild-type structure. Discussion: The comparatively higher binding affinity of the four polyphenols to RdRp than remdesivir emphasizes their potential as effective antiviral candidates. The absence of mutationinduced alterations in binding sites for the four polyphenols suggests a lower risk of resistance development. These understandings further support in vitro and in vivo assessment of these polyphenols for SARS-CoV-2 therapies. Conclusion: Conservation of RdRp binding sites indicates that the polyphenolic compounds investigated in this study could retain activity against several SARS-CoV-2 variants.

Introduction: Psoriasis is a long-term, immune-mediated skin condition marked by aberrant keratinocyte differentiation and hyperproliferation, which results in the development of red, scaly plaques. It affects 2–3% of people worldwide and has a major negative influence on a patient's social, psychological, and physical health Methods: Collection of information is from various sites, i.e. PubMed, Google Scholar, SciFinder, Research Gate and Medline Plus Results: Plants were employed due to their abundant chemoprotective and anticarcinogenic properties. The Th17 route and cytokines like IL-17, IL-23, and TNF-α have been implicated in the pathogenesis of psoriasis, according to recent developments in our understanding of the condition. Scientists are looking at alternative delivery mechanisms because conventional topical therapy approaches are non-specific, ineffective, and linked to lower side effects. The manuscript is a compilation of 227 articles only. Discussion: The treatment of psoriasis has undergone a revolution towards targeted and novel medicines, which provide safer and more effective alternatives to systemic therapy. Extremely hydrophobic drugs can be made more soluble by using nanoparticles. They improve the stability of medications while delivering a steady and regulated release. Higher medication concentrations can be delivered to specific regions via nanoparticles. It will also go over the difficulties and potential paths for psoriasis research, highlighting the importance of tailored treatment plans and a deeper comprehension of the underlying causes of the condition. Conclusion: This review presents a thorough summary of the state of the art regarding the aetiology, clinical symptoms, epidemiology, and available treatments for psoriasis, especially on plants and their novel approaches.

Abstract: Pulmonary fibrosis induced by PM2.5 exposure is a significant public health concern. While the central role of TGF-β1 in fibrotic signaling is well established, the crosstalk among the various signaling pathways activated by PM2.5 is not yet fully understood. A literature search was conducted in the ScienceDirect and PubMed databases using keywords such as “pulmonary fibrosis,” “PM2.5,” and “TGF-β.” Recent and high-impact articles published in English were selected, and their findings were synthesized into a narrative review. The synthesized literature reveals that PM2.5 exposure drives pulmonary fibrosis through a complex signaling network. The canonical TGF-β/Smad pathway acts as a central driver, but its pro-fibrotic effects are significantly amplified and sustained by crosstalk with non-canonical pathways (e.g., MAPK, PI3K/Akt) and other key regulatory networks like Wnt/β-catenin and Hippo/YAP. Overall, PM2.5-induced pulmonary fibrosis results from an interconnected network of pro-fibrotic signals, underscoring the need for multitargeted therapeutic approaches in the future.

Biomolecular characterization, computational chemistry, in silico methods, molecular modeling, molecular simulation, computer-aided drug design.: This paper provides a brief account of the role of computational approaches alongside theoretical and experimental methods. Computational methods have become indispensable tools for biomolecular characterization studies that investigate the behavior and properties of molecules and explore the relationships between them. Molecular modeling serves as a tool for the generation and manipulation of three-dimensional molecular structures. Computational simulations have made a significant contribution to the domain of biomolecular characterization. Computational methods are powerful analytical toolkits that enable the calculation of molecular properties within a given system. The broader impact of this work lies in enhancing the understanding and application of computational tools to address key questions of interest in biophysics and molecular biology fields. Computer-based approaches can provide meaningful insights into the potential outcomes of experimental decisions. Furthermore, computational predictions can guide experimental design and reduce trial-and-error efforts, enhancing overall research efficiency. In this context, the integration of classical and advanced computational strategies, including molecular dynamics, quantum mechanics, computer-aided drug design, bioinformatics, and artificial intelligence, establishes a unified and complementary computational framework. These complementary methodologies enable reliable prediction of molecular properties, facilitate the rational design and optimization of novel molecules, and support the systematic interpretation of complex biological systems. Moreover, the synergy between computational and experimental approaches significantly reduces costs, time, and resource requirements, thereby reinforcing the central role of computational modeling in modern biomolecular research and drug discovery.

Introduction:: Musa velutina H.Wendl. & Drude, a wild banana species with underexplored medicinal potential, was evaluated for its pharmacognostic, phytochemical, antioxidant, and antibacterial properties using ethanolic stem extract. Methods:: Pharmacognostic and physicochemical parameters were assessed, followed by qualitative and quantitative phytochemical analyses. Total phenolic and flavonoid contents were estimated. Antioxidant potential was evaluated by the DPPH radical scavenging assay. FTIR spectroscopy was employed to identify functional groups, and antibacterial activity was tested against Escherichia coli and Staphylococcus aureus using the agar well diffusion method. Results:: The extract contained alkaloids, flavonoids, phenolics, tannins, glycosides, saponins, and proteins. High phenolic (138.23 mg GAE/g) and flavonoid (290.33 mg QE/g) contents were recorded. The extract demonstrated strong antioxidant potential (IC50 ≈ 1.00 μg/mL). FTIR analysis revealed hydroxyl, carbonyl, and aromatic groups consistent with bioactive phytoconstituents. Antibacterial screening showed no inhibition against E. coli, while moderate, dose-dependent activity was observed against S. aureus (maximum zone of inhibition 11.5 mm at 1000 μg/disc). discussion: The extract’s potent antioxidant activity is attributable to its rich polyphenolic composition, as supported by both chemical assays and FTIR analysis. Selective antibacterial activity suggests that the extract may be more effective against Gram-positive organisms. The findings affirm the therapeutic relevance of the plant's stem, which has remained underexplored compared to other parts. Discussion:: The antioxidant potential is attributable to rich polyphenolic content, while selective antibacterial effects highlight differential susceptibility between Gram-positive and Gram-negative bacteria. These findings align with reports on other Musa species and extend knowledge by documenting the pharmacognostic and bioactive profile of the stem of Musa velutina H.Wendl. & Drude. Conclusion:: The ethanolic stem extract of Musa velutina H.Wendl. & Drude is a promising source of natural antioxidants and antibacterial agents against Gram-positive bacteria, warranting further in vivo and bioassay-guided investigations.

Introduction: Endothelial inflammation is central to atherosclerosis and cardiovascular diseases, driven by interactions between inflammatory and metabolic factors. This bioinformatics approach examines the specific impacts of interferon-gamma (IFN-γ), a cytokine that promotes inflammation, and trimethylamine N-oxide (TMAO), a metabolite originating from the gut, on the transcriptomic profile of human aortic endothelial cells (HAECs). Methods: Gene expression profile data were obtained from the GEO database. Differential expression analysis was conducted utilizing GEO2R, and DEGs were selected based on specific cutoffs. Functional enrichment analyses were performed using DAVID. A protein-protein interaction (PPI) network was constructed with STRING and visualized in Cytoscape, with significant modules identified through MCODE. Results: Transcriptome data analysis identified 1008 DEGs in IFN-γ-treated cells (368 upregulated, 640 downregulated) and 23 DEGs in TMAO-treated cells (11 upregulated, 12 downregulated). IFN- γ upregulated processes related to signal transduction, cell adhesion, and angiogenesis, indicating a broad activation of immune and inflammatory pathways. TMAO induced minimal transcriptional changes. Discussion: Transcriptome analysis revealed that IFN-γ exerts a broad regulatory impact on endothelial cells, with significant upregulation of pathways linked to signal transduction, cell adhesion, and angiogenesis, consistent with its pro-inflammatory role. Hub gene analysis further confirmed repression of key mediators across JAK-STAT and related pathways, emphasizing IFN- γ’s dual role in activation and regulation. Conclusion: IFN-γ strongly modulated endothelial inflammation, both activating and suppressing immune responses, whereas TMAO elicited minimal transcriptional effects. The findings highlighted the distinct roles of inflammatory cytokines and metabolites in vascular inflammation, offering insights into mechanisms underlying cardiovascular disease progression.

Introduction: Novel therapeutic strategies are essential for enhancing outcomes in patients with idiopathic pulmonary arterial hypertension (PAH). Sphingosine 1 phosphate (S1P) inhibitors have demonstrated positive effects in preclinical models of various autoimmune disorders. The pathogenesis of PAH involves extensive pulmonary vascular remodeling, marked by an abnormal increase in smooth muscle and endothelial cell growth, ultimately resulting in vessel occlusion, though the mechanisms remain largely unknown. This research is the first to assess the effectiveness of 3-Isopropoxyphenylboronic acid, an S1P1 modulator, in comparison with macitentan, a dual endothelin receptor antagonist, in a monocrotaline-induced rat model of elevated pulmonary pressure. Methods: Various assessment methods were used, such as hemodynamic evaluations, histological examination of the right ventricle and pulmonary vessels, and analysis of circulating biomarkers. objective: The pathogenesis of PAH involves extensive pulmonary vascular remodeling, marked by an abnormal increase in smooth muscle and endothelial cell growth, ultimately resulting in vessel occlusion, though the mechanisms remain largely unknown. Results: Findings of the study demonstrated that both 3-Isopropoxyphenylboronic acid (10 mg/kg/day orally) and macitentan (10 mg/kg/day) effectively slowed the progression of PAH at both functional and structural levels. Treatment commenced on day 14 after monocrotaline injection and was maintained for 14 days. Findings from all experimental approaches indicated that the S1P1 modulator produced effects comparable to macitentan. Discussion: While the reported physiological and histological improvements suggest that 3- Isopropoxyphenylboronic acid may have therapeutic value in pulmonary arterial hypertension (PAH), the direct involvement of the S1P1 receptor has yet to be shown unequivocally. To determine the specificity of the compound's activity via S1P1 regulation, further research should include receptor binding assays, gene and protein expression assessments, and pathway-specific phosphorylation indicators. result: Findings from all experimental approaches indicated that the S1P1 modulator produced effects comparable to macitentan Conclusion: In summary, the research suggests that S1P1 inhibition reduces right ventricular hypertrophy and enhances cardiac function in the context of PAH, warranting further investigation into S1P1 modulation as a potential therapeutic target for PAH management.

Introduction: Lycopene is a lipophilic red carotenoid pigment made up of eight isoprene units (octaprene) that are normally bound together head to tail, with the exception of the central part of the compound, wherein tail to tail attachment results in a symmetrical structure. Several physiological modes of action for lycopene have been investigated and documented in scientific research; the impacts on heart health, antineoplastic activity, and defence against oxidative stress are among the most extensively researched. Biological sources like Citrullus lanatus, Psidium guajava, Citrus paradisi, Rosa canina, Carica papaya, and apricot all contain significant amounts of it. Methods: Current data were collected from PubMed, Google Scholar, ACS, SciFinder, Springer Nature, Bentham Science, PLOS One, MDPI and MEDLINE. Results: Much scientific evidence suggests that eating nutritious food can help avoid chronic illnesses. Novel drug formulation of lycopene has also been researched to increase stability and solubility. Nanoparticles, liposomes, neosomes, microparticles and other novel agents have been investigated after 2015. Here in the review, we also compiled the marketed formulation. Discussion: Lycopene possesses various pharmacological aspects like anti-oxidant, anticancer, antiinflammatory, antiulcer, hepatoprotective and cardiovascular approaches. Novel formulations enhanced its potency. Conclusion: The Present review summarises pharmacological activities, delivery approaches of lycopene and marketed formulations.

Introduction: Inhibitors targeting human kynurenine aminotransferase 2 (KATII) have potential therapeutic applications for addressing cognitive dysfunctions associated with schizophrenia and bipolar disorder. This study aims to discover and evaluate novel inhibitors of the KATII enzyme using drug discovery methods, to identify compounds with therapeutic potential in schizophrenia. background: Inhibitors targeting human kynurenine aminotransferase 2 (KATII) have potential therapeutic applications for addressing cognitive dysfunctions associated with schizophrenia and bipolar disorder. Methods: In this study, we present various chemical series of KATII inhibitors discovered through high-throughput screening of a diverse compound library. Computational approaches included virtual screening, binding free-energy calculations, and molecular dynamics. objective: The aim of this study is to discover and evaluate novel inhibitors of the KATII enzyme using drug discovery methods, in order to identify compounds with therapeutic potential in schizophrenia. Results: We utilized thirteen million compounds that were found in the Mcule library. We also used previously known KATII inhibitor compounds as positive controls, such as N-acetylcysteine, and PF-04859989. Based on the simulation analysis and the binding energy of the ligands, three ligands ZINC02761616 (-93.906 kJ mol-1), ZINC04577733 (-114.107 kJ mol-1), and ZINC75093839 (- 103.388 kJ mol-1), were proposed as the best inhibitors for this in vitro study. Also, the binding energy of compounds N-acetylcysteine and PF-04859989 was 28.984 kJ mol-1 and -14.124 kJ mol-1, respectively. Discussion: The novel compounds demonstrated stronger binding affinities than existing KATII inhibitors, indicating potential for improved schizophrenia treatment. However, computational predictions require experimental validation to assess solubility and off-target effects. Conclusion: These compounds may offer enhanced potency, but in vitro and in vivo studies are essential to confirm their efficacy and safety.