The genus Mangifera (Anacardiaceae) is widely distributed across most tropical and subtropical regions and has long been used in traditional medicine for its nutritional value and for treating aging-related conditions, parasitic infections, diabetes, and dysentery. Nearly every part of the plant, leaves, seeds, fruits, stems, pulp, and peel, has been investigated for various research purposes. These plants have been used therapeutically for decades. Using databases, such as PubMed/MEDLINE, Scopus, EBSCO, Europe PMC, and Google Scholar, all relevant research articles were thoroughly reviewed, with emphasis on pharmacology and bioactive plant constituents. Among all species, Mangifera indica has been the most extensively studied in recent years. Mangiferin is recognized as one of the most potent and widely investigated bioactive compounds in the genus. The phytochemical profile includes flavonoids, terpenoids, alkaloids, tannins, resins, sterols, and other classes of secondary metabolites. Pharmacological findings compiled in this review encompass its antioxidant, anticancer, hepatoprotective, cardioprotective, antiulcer, neuroprotective, antidiabetic, antitumor, antiviral, anti-inflammatory, antiarthritic, and additional biological activities. This study also discusses novel drug-delivery strategies related to the genus, including nanoparticle- based formulations of Mangifera indica and mangiferin. Overall, this review aims to provide an updated overview of developments in the genus Mangifera, covering traditional uses, chemical constituents, pharmacological effects, and therapeutic applications. This comprehensive assessment may offer new perspectives for future research on the genus Mangifera.

Ursolic acid (UA), a pentacyclic triterpenoid abundantly found in botanical sources, has emerged as a promising anticancer agent. However, its clinical translation is hindered by poor water solubility and limited bioavailability, necessitating the development of structural optimisation strategies. A comprehensive literature review was conducted using PubMed, Scopus, ScienceDirect, Google Scholar, and Crossref databases. Search terms included "ursolic acid," "anticancer," "C-3 modification," "C-28 modification," "antitumor," "cell cycle," and "mechanism." Peer-reviewed publications discussing structural modifications and therapeutic applications with experimental validation were included, while articles lacking empirical evidence were excluded. Structural modifications at C-3 (oxidation, esterification, and hydroxylation) and C-28 (amide/ester formation) significantly enhanced the anticancer activity of UA. C-3-modified derivatives demonstrated 2- to 3-fold increased cytotoxicity against KB, HepG2, MCF7, and LU cell lines. C-28 modifications, particularly piperidine-containing derivatives, exhibited IC₅₀ values of 2.50-11.4 μM against various cancer cell lines. These derivatives induced apoptosis through caspase activation, caused cell cycle arrest (G1, G2/M, and Sub-G1 phases), and modulated key survival pathways, including PI3K/Akt/mTOR, NF-κB, and MAPK/ERK. Strategic modifications at C-3 and C-28 positions address pharmacokinetic limitations of UA while preserving and enhancing its multi-targeted anticancer properties. These derivatives demonstrate superior cellular membrane permeability, target affinity, and cytotoxic potential across haematological and solid malignancies. C-3 and C-28 modifications represent viable strategies for developing next-generation UA-based anticancer therapeutics. Future research should focus on comprehensive pharmacokinetic studies, toxicological evaluations, and clinical translation through advanced delivery systems and combination therapy approaches.

Cervical Cancer (CC) is a significant global health concern due to its high death rate, necessitating the development of effective therapeutic, diagnostic, and preventative substances. The current treatment methods for advanced metastatic CC include surgery, radiotherapy, and chemotherapy. Plants and phytocompounds have emerged as promising options for preventing CC. This review provides a comprehensive overview of the molecular mechanisms by which various phytocompounds exert their anticancer properties. It explores the impact of key signaling pathways, molecular interactions, and substances on metastasis inhibition, cell cycle control, and apoptosis. Additionally, it presents promising preclinical and clinical findings highlighting the potential of phytochemicals as adjuvant therapy in standard CC treatment. This summary highlights the effectiveness and well-tolerated potential of plant-based interventions and phytocompounds in CC therapy. Furthermore, it demonstrates the therapeutic potential of phytochemicals in CC, integrating molecular biology with clinical evidence and paving the way for further research and clinical applications. This review aims to advance innovative treatment methodologies for CC prophylaxis and therapy, emphasizing the need for further research into plant-based treatments to enhance patient outcomes.

The application of Artificial Intelligence (AI) and other technologies in drug discovery has received substantial attention, as they streamline the process and overcome challenges that traditionally make it time-consuming and resource-intensive. Research in antimicrobial drug discovery has become increasingly urgent due to the accelerating emergence of antimicrobial resistance (AMR), a significant threat to public health worldwide that makes existing antibiotics less effective. To address this demanding need, ML algorithms are being applied to design novel drug candidates at various stages of drug design. To enhance efficiency, accuracy, and overall quality of results, ML and Deep Learning (DL) algorithms are increasingly used in structure-based drug development, drug target identification, and novel drug development. Recurrent Neural Networks (RNNs), Adversarial Autoencoders (AAEs), Support Vector Machines (SVMs), and other AI models have shown valuable in de novo drug design, physicochemical and pharmacokinetic parameter (ADMET) analysis, drug repurposing, and ligand- and structure-based virtual screening. Drug discovery has become increasingly accessible with the emergence of open-source AI platforms and software, which enable researchers worldwide to create and validate new-generation compounds in a cost-effective and collaborative manner. Drugs like Halicin and Abaucin, which have considerable potential against resistant infections, have recently been discovered using AI-assisted methods. However, challenges remain, including restricted datasets, model interpretability, and integration into experimental processes despite these advancements. Future advancements are likely to focus on expanding open-access datasets, advancing AI-driven AMR prevention strategies, and improving predictive accuracy.

Neurodegenerative diseases progressively impair neuronal structure and function, leading to cognitive decline, motor dysfunction, and paralysis. Among the underlying mechanisms, cholinergic dysfunction-characterized by degeneration of cholinergic neurons and reduced acetylcholine (ACh) levels-plays a central role in disease progression, particularly in Alzheimer's disease (AD) and Parkinson's disease (PD). According to the cholinergic hypothesis, memory loss and cognitive impairment are directly linked to disrupted ACh-mediated neurotransmission. Rivastigmine, a dual acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitor, enhances synaptic ACh levels but is limited by a short half-life, modest efficacy, and gastrointestinal side effects. This review highlights the molecular mechanisms underlying cholinergic dysfunction, including oxidative stress, mitochondrial impairment, protein aggregation, neuroinflammation, and synaptic dysregulation, while emphasizing rivastigmine and its derivatives as emerging therapeutic candidates. Structural modifications of rivastigmine have yielded multifunctional derivatives with improved selectivity, blood-brain barrier penetration, and neuroprotective properties, including antioxidant, anti-amyloid, and anti-inflammatory activities. These advances suggest that rivastigmine derivatives could serve as promising multi-targeted agents for neurodegenerative disorders. Future directions include integrating these compounds with nanotechnology-based delivery systems and precision medicine approaches to overcome pharmacokinetic limitations and optimize patient outcomes.

Neurodegenerative diseases, such as Alzheimer's and Parkinson's, continue to pose significant challenges due to their complex aetiology and limited treatment options. Scopoletin, a naturally occurring coumarin found in a variety of medicinal plants, is being explored as a potential therapeutic agent because of its broad pharmacological profile. This review investigates scopoletin's neuroprotective potential, with particular emphasis on its antioxidant, anti-apoptotic, and cholinergic-regulating properties. It also highlights its ability to reduce oxidative stress, modulate neurotransmitter balance, and prevent protein aggregation, which are key pathological features of neurodegeneration. Despite promising preclinical findings, further research is required to establish its efficacy, optimise its bioavailability, and evaluate its safety in clinical settings. Overall, scopoletin demonstrates considerable potential as a neuroprotective compound, offering new avenues for the development of innovative therapeutics for neurodegenerative disorders. This comprehensive review aims to provide a foundation for future research and the advancement of scopoletin as a promising agent against neurodegeneration.

Alpha-Lipoic Acid (ALA) is known for its antioxidant and antiinflammatory properties; however, its direct role in neurogenesis remains undefined. This study evaluated the neurogenic potential of the R-enantiomer (R-ALA) using transcriptomic profiling and in vitro validation. Transcriptome analysis of R-ALA-treated cells was performed to identify differentially expressed genes and enriched pathways. Validation was conducted in different cell lines (C6, PC12, TGW) to assess neurite morphology and neuronal marker expression. R-ALA induced strong upregulation of several neurogenesis-associated biomarkers and enriched pathways related to neurogenesis, axonogenesis, dendritogenesis, gliogenesis, and neurotransmission (serotonergic, GABAergic). In line with transcriptomic predictions, treated cells exhibited neurite outgrowth and increased expression of neuronal markers, including MAP2, β- tubulin III, NF-200, and GAP43. The upregulation of neuron-specific markers and downregulation of progenitorassociated CD44 suggest a comprehensive activation of neuroplastic and regenerative processes, reinforcing ALA's potential as a neurogenic agent. These findings provide the first integrated transcriptome-to-phenotype evidence that R-ALA promotes neurogenesis and neuronal differentiation in vitro, offering a basis for further in vivo exploration in neurodegenerative disorders.

Ophiocordyceps sinensis, a parasitic fungus traditionally used in Asian medicine, has drawn attention for its potential anticancer properties. Its bioactive components- such as cordycepin, polysaccharides, and nucleosides-exhibit anti-inflammatory, antioxidant, immunomodulatory, and anticancer activities. This study reviews preclinical evidence from in vitro and in vivo models evaluating the anticancer effects of O. sinensis against various cancers, including lung, breast, liver, and colon. Mechanistic assessments focused on apoptosis induction, cell cycle regulation, angiogenesis inhibition, and immune modulation. Cordycepin, a key active compound, was found to induce apoptosis via caspase activation and Bcl-2 family protein modulation. Additionally, O. sinensis inhibited angiogenesis, disrupted cancer cell proliferation through cell cycle arrest, and reduced oxidative stress. Its immunomodulatory effects were also noted to enhance anti-tumor immune responses. Some studies suggest it may potentiate traditional cancer therapies by mitigating treatment-induced immunosuppression and tissue damage. These preclinical findings highlight O. sinensis as a promising natural anticancer agent. Its multifaceted mechanisms align with modern therapeutic goals such as immune engagement and tumor microenvironment modulation. However, current evidence is limited to preclinical settings. Variability in bioactive compound content and concerns about bioavailability remain major challenges. Ophiocordyceps sinensis demonstrates encouraging anticancer potential in preclinical models. Further clinical studies are essential to validate its efficacy, establish safety profiles, and optimize formulation for therapeutic use.

Justicidins are naturally occurring arylnaphthalene lignans, mainly from Justicia, Phyllanthus, and Linum species. Justicidin and its derivatives have gained scientific attention for their structural adaptability and wide-ranging pharmacological activities. Their rigid arylnaphthalene core, featuring hydroxyl, methoxy, dioxymethylene groups, and a five-membered lactone ring, offers chemical stability and scope for modification, enabling targeted drug design. Preclinical studies show that justicidin has potent cytotoxicity against breast, lung, leukemia, colorectal, and bladder cancer cells through mechanisms such as apoptosis induction via mitochondrial pathways, topoisomerase inhibition, cell cycle modulation, angiogenesis suppression, and interference with metastasis-related signaling. Beyond oncology, it demonstrates anti-inflammatory, antiviral, neuroprotective, antibacterial, antiplatelet, and antiangiogenic effects. Its multi-target activity involves modulation of NF-κB, MAPK, and PI3K/Akt pathways, as well as DNA damage induction, mitochondrial membrane potential disruption, and regulation of caspases. Low toxicity in normal cells and favorable pharmacokinetics in experimental models strengthen its therapeutic promise. Advances in total synthesis and biotechnological production further enhance its research value. This review compiles current insights into the chemistry, biosynthesis, biotechnological production, pharmacology, and molecular mechanisms of justicidin, underscoring its dual potential as an anticancer lead and a versatile agent for chronic diseases. Understanding structure-activity relationships and optimizing drug-like properties may enable the development of novel, multi-target therapeutics inspired by this natural product.

Molecular docking has emerged as a cornerstone methodology in computational drug discovery, enabling the prediction of ligand-receptor interactions with considerable accuracy and efficiency. This article provides a comprehensive overview of docking fundamentals, including its workflow, scoring functions, and various types, ranging from rigid to flexible and ensemble docking approaches. Docking serves as an essential tool for virtual screening, lead optimization, and structure-based drug design, significantly reducing experimental costs and accelerating the identification of therapeutic candidates. The review details contemporary scoring strategies such as force-field-based, empirical, knowledge-based, and consensus scoring, highlighting their respective strengths and documented limitations. Additionally, a comparative evaluation of widely used docking platforms such as AutoDock, MOE, GOLD, Glide, and MVD is presented, incorporating recent benchmarking results and practical considerations. Special emphasis is placed on the integration of molecular docking with machine learning, artificial intelligence, molecular dynamics simulations, and other computational methods. Innovations such as deep learning architectures, AlphaFold-based structural modeling, reinforcement learning, and cloud-based high-throughput screening are redefining the predictive power, scalability, and clinical relevance of docking. Applications extend across drug discovery, drug repurposing, natural product research, and personalized medicine. The article also discusses critical challenges such as protein flexibility and scoring inaccuracies, and reviews emerging hybrid solutions designed to enhance accuracy and reliability. The review underscores the transformative impact of molecular docking in modern drug development.