Journal of Drug Delivery and Therapeutics (JDDT)
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Therapeutic Potential of Ustukhuddus (Lavandula stoechas L.): The ‘Broom of the Brain’ in Unani Medicine and Neuropharmacology
No full textObjective(s): To evaluate the therapeutic significance of Ustukhuddus (Lavandula stoechas L.) in Unani medicine, focusing on its role as a brain tonic, phlegm expeller, and nervine stimulant, with particular emphasis on its ability to eliminate Saudawi (black bile) and Balghami (phlegmatic) morbid matters from the brain.
Data Sources: This study is based on a comprehensive review of classical Unani texts, including Al-Qanoon fi al-Tibb, Kitab al-Hawi, and Al-Jamiʿ li-Mufradat al-Adwiyah, and on modern scientific databases such as PubMed, Scopus, and Google Scholar, to assess phytochemical composition and pharmacological studies on Lavandula stoechas.
Study Selection: Relevant literature was selected to highlight the traditional uses of Ustukhuddus in Unani medicine and to evaluate contemporary pharmacological evidence supporting its therapeutic actions, particularly on the central nervous system.
Summary: Unani literature documents the use of Ustukhuddus for neurological conditions, including paralysis, epilepsy, melancholia, mania, anxiety, numbness, tremors, convulsions, and chronic headaches. Modern research corroborates these uses by demonstrating the antioxidant, anti-inflammatory, neuroprotective, antidepressant, anti-spasmodic, sedative, analgesic, and anticonvulsant activities. Major phytoconstituents such as linalool, flavonoids, and phenolic compounds contribute significantly to these effects.
Conclusion: The integration of traditional knowledge with modern pharmacological evidence supports Ustukhuddus as a promising neurotherapeutic agent. Its inclusion in evidence-based Unani formulations may offer valuable potential for managing neurological disorders, warranting further clinical validation.
Keywords: Ustukhuddus; Lavandula stoechas; Unani medicine; Jarūb-i-Dimāgh; Broom of the brain; Neuroprotective
Investigation of a Novel PDEδ Inhibitor Targeting K-Ras in Colorectal Cancer: An in Silico and Computer-Aided Drug Design Approach
No full textIntroduction: Colorectal cancer is frequently associated with mutations in the KRAS gene, leading to abnormal activation of the KRas protein. Direct targeting of KRas remains a major therapeutic challenge due to the absence of suitable binding sites for small molecules. An alternative strategy involves inhibiting phosphodiesterase δ (PDEδ), a key regulator of KRas oncogenic signaling.
Objective: This study aimed to identify novel PDEδ inhibitors through an in silico computer-aided design approach to block the oncogenic signaling of KRas in colorectal cancer.
Methods: An integrated computational strategy was used, including pharmacophore modeling based on the crystal structure of PDEδ complexed with an inhibitor, virtual screening of chemical libraries, and drug-likeness filtering according to Lipinski and Veber rules. Selected compounds underwent molecular docking, ADME-Tox prediction, bioavailability assessment, and molecular dynamics simulations (GROMACS) to evaluate stability and binding behavior.
Results: The identified hit compound showed strong binding affinity and stable hydrogen interactions with PDEδ. It met all Lipinski and Veber criteria, suggesting good pharmacokinetic potential and oral bioavailability. ADMET analysis revealed a favorable safety profile, and molecular dynamics simulations confirmed its greater stability compared to the co-crystallized ligand.
Conclusion:This study identified a promising PDEδ inhibitor capable of interfering with KRas oncogenic signaling in colorectal cancer. These findings provide a solid foundation for the development of new targeted therapies, with future perspectives involving in vitro, in vivo, and clinical validation.
Keywords: PDEδ, KRas, Colorectal cancer, Pharmacophore modeling, Virtual screening, Molecular docking, In silico approach, ADMET
Artificial Intelligence (AI) Assisted Discovery of Novel FXR Agonists for NASH Treatment
No full textBackground: Non-alcoholic steatohepatitis (NASH) is a chronic metabolic disease characterized by lipid accumulation, inflammation, and progressive liver fibrosis. The lack of approved treatments highlights the need to identify new agonists of the farnesoid X receptor (FXR), a key regulator of lipid metabolism and bile acids.
Methods: An integrated AI-assisted drug discovery pipeline was developed, combining a QSAR model based on graph neural networks (GraphConvModel), high-throughput virtual screening, in silico ADMET evaluation, and molecular docking. The model was trained on 3,450 ligands from ChEMBL and PubChem, then applied to screen approximately one million additional molecules from PubChem.
Results: The model achieved high performance (R² = 0.89), reproducing the experimental activity hierarchy. Successive filters (Lipinski, bioavailability, DILI, hERG) led to nine candidate agonists, with molecules M9 (CID: 7190831) and M1 (CID: 8888557) showing the best docking scores (−49.37 and −49.11 kcal/mol). Their stable interactions with residues PHE363, ILE359, TYR358, and TRP451 confirm their agonist potential.
Conclusion: The AI-ADMET-Docking pipeline is a rapid and reliable predictive tool for discovering FXR agonists. These results validate the value of AI in researching innovative treatments for NASH and pave the way for experimental validation of molecule M9 (CID: 7190831).
Keywords: FXR, NASH/MASH, molecular modeling, Artificial Intelligence, Graph Neural Networks (GNN
Precise Evaluation of the Essential Metal Ions in Oral Rehydration Solution by Flame Emission Spectroscopy
No full textThree rapid, precise, and reliable analytical methods have been established for determining the concentrations of sodium and potassium in two distinct ORS formulations. The first method, use only one standard means measuring how bright the flame is for a sample solution and comparing it with the brightness of a standard solution, means known solution. The second method uses two standard solutions. It involves standardizing a reference substance using two-point bracketing, and the final result is calculated using mathematical formulas. The third method is a linear curve, which means finding how much of a substance is in a sample by comparing it to other sample with known amount. The concentration of a substance in an unknown sample is determined by measuring its flame intensity and comparing it with that of standards, since flame intensity is directly proportional to concentration. The linear range for sodium and potassium is in the range of 0-100 μg/ml. The developed methods were effectively utilized for the precise evaluation of sodium and potassium in commercially available ORS formulations. Accurate percentage yield indicate that all three methods are rapid, precise and reliable for the estimation of sodium and potassium in two different formulations of ORS.
Keywords: Metal ions, Oral Rehydration Solution, Flame emission spectroscop
Therapeutic Evaluation of Super Joints Tablets (SJT): A Multi-Herbal Nutraceutical Formulation for Managing Joint Degeneration and Inflammation
No full textSuper Joints Tablets (SJT), developed by ManahVedaTM is a multi-nutrient and multi-herbal nutraceutical formulation designed to support joint integrity, reduce inflammatory responses, and enhance overall musculoskeletal function. It contains Glucosamine Hydrochloride, Withania somnifera (Ashwagandha) root extract, Trigonella foenum-graecum seed extract (standardized to saponins), Boswellia serrata extract (standardized to boswellic acid), Rosa canina (Rosehip) extract, Curcuma longa extract (standardized to curcumin), Alpinia galanga (Rasna) extract, and Piper nigrum extract standardized to piperine. These ingredients collectively target inflammatory pathways, oxidative damage, cartilage degeneration, and neuromuscular stress-primary contributors to osteoarthritis and chronic joint disorders. Glucosamine plays a structural role in cartilage formation, while Boswellia, Curcumin, and Rosehip exhibit potent anti-inflammatory and antioxidant effects. Ashwagandha contributes adaptogenic and stress-modulating effects, Fenugreek adds metabolic and analgesic support, and Rasna offers classical musculoskeletal benefits rooted in Ayurvedic medicine. Piperine enhances the bioavailability of co-administered phytochemicals, especially curcumin. This article evaluates the therapeutic potential of the formulation using available scientific literature, establishing a mechanistic rationale for its synergistic activity. The multi-target benefits of Super Joints Tablet position it as a promising adjunct approach for individuals experiencing osteoarthritis, inflammatory joint conditions, age-related musculoskeletal decline, and mobility limitations. The scientific foundation of the ingredients indicates that the formulation may reduce pain, improve joint lubrication, enhance flexibility, and slow degenerative processes. Further clinical investigation is warranted to validate long-term outcomes, optimal dosing strategies, and comparative efficacy with conventional therapies. Overall, Super Joints Tablet demonstrates potential as a holistic nutraceutical intervention for joint support, inflammation control, and improved quality of life.
Keywords: Joint Integrity Support; Anti-Inflammatory Nutraceuticals; Cartilage Protection; Ayurvedic Multi-Herbal Formulation; Osteoarthritis Managemen
Identification of Some DPP-4 Inhibitors Using QSAR Modeling Based Drug Repurposing Approach
Full text linkPost-prandial hyperglycemia still remains a problem in the management of type II diabetes mellitus. Of all available anti-diabetic drugs, DPP-4 inhibitors seem to be one of the most effective in reducing post-prandial hyperglycemia. In present study, QSAR modeling based drug repurposing approach has been implemented to identify some repurposed DPP-4 inhibitors with established safety profile. For this QSAR modeling based analysis, initially a (S)-1-((S)-2-amino-3-phenylpropanoyl) pyrrolidine-2-carbonitrile having two different types of substitutions i.e. R1 on phenyl and R2 on pyrrolidine as well as proper variation in the biological activity was selected thereafter models were developed using various conventional QSAR approaches including Free Wilson, Hansch, and Mixed modeling by utilizing PaDEL descriptor calculator and DTC lab software. Hansch type 2D QSAR model, which was derived using some PaDEL descriptor, showed acceptable internal as well as external consistencies. Some repurposed DPP-4 inhibitors were successfully identified. These identified approved drugs may be further explored as new anti-diabetics for type II diabetes patient especially for the management of post-prandial hyperglycemia which is a major issue in these patients
Keywords: QSAR, Hyperglycemia, Substitutions, Diabetes mellitus, PaDEL descripto
Biogenic synthesis of Silver nanoparticles using Secondary metabolites of Lactiplantibacillus plantarum and its potential applications
Full text linkThis study investigated the eco-friendly synthesis of silver nanoparticles (AgNP’s) using secondary metabolites derived from probiotic bacteria naturally existing in the human gut, such as Lactiplantibacillus plantarum. Probiotics are well-known for producing a wide range of bioactive compounds, including peptides, organic acids, bacteriocins, and exopolysaccharides, which can act as reducing and capping agents in bio-nanoparticle synthesis. These metabolites serve dual functions: facilitating nanoparticle formation and making their biological functionality. The synthesized AgNP’s were characterized using advanced techniques to determine their size, morphology, and surface chemistry. The study emphasizes their potent antimicrobial, antifungal, and anticancer properties against MCF-7 breast cancer cell lines. Antibacterial activity against Escherichia coli, Staphylococcus aureus, and Klebsiella pneumoniae. Antifungal efficacy against Aspergillus niger and Aspergillus flavus, demonstrating promising applications in pharmaceuticals and healthcare. Additionally, the nanoparticles were tested for their ability to enhance textile materials by testing their antibacterial activity and durability, thus supporting their role in functional fabrics used in medical clothing, sportswear, and hygienic textiles, which was compared to the chemically synthesized nanoparticles to achieve higher biocompatibility, stability, and sustainability. This work highlights the untapped potential of probiotic microorganisms as a novel and renewable source for nanomaterial production and paves the way for interdisciplinary applications spanning medicine, agriculture, environmental remediation, and smart textiles.
Keywords: Lactiplantibacillus plantarum, Silver Nanoparticles, Antibacterial, Antifungal, Anticancer activit
Biogenesis and implication of miRNAs in the development of diseases and their theranostic inhibitions
Full text linkMicroRNAs (miRNAs), the naturally derived (canonical or non-canonical biogenesis) small non-coding RNAs linked to many crucial cellular processes and their dysregulations have emerged as the regulators of genes expression, mRNA translation, and proteins synthesis contributing to multiple pathological disease-progression and prognosis. Owing to the un-steadiness of miRNAs and their complex-degradation of mRNAs by nucleases and their dysregulated identifications in biological fluids as biomarkers for the development of diseases, miRNA mimics and anti-miRNAs molecules may be applied to restore miRNA expression or downregulate aberrantly expressed miRNAs as therapeutics loaded with delivery systems. This review denotes mainly the recent advances of the miRNA-based therapeutic delivery systems (such as viral, liposomal, exosomal and polymeric) as well as the novel strategies as emerging delivery systems (such as DNA origami, magnetosomes, micro needles and selenium nanoparticles) to diagnose and treat various diseases.
Keywords: miRNAs; Biogenesis; Biomarkers; Diseases; miRNA-based delivery systems; Novel strategie
Coriandrum sativum: Review of Its Botany, Medicinal Uses, Pharmacological Activities and Phytochemistry
Full text linkCoriandrum sativum L. (coriander), a member of the Apiaceae family, is a well-known aromatic herb widely used in culinary, traditional medicine, and pharmaceutical industries. This review comprehensively summarizes the botany, medicinal uses, pharmacological activities, and phytochemistry of coriander. The plant exhibits a wide range of therapeutic properties, including antioxidant, antimicrobial, anti-inflammatory, antidiabetic, neuroprotective, and hepatoprotective effects. Phytochemical studies reveal the presence of essential oils, flavonoids, phenolic acids, fatty acids, and terpenoids, which contribute to its pharmacological potential. This article highlights the importance of C. sativum as a functional food and a source of bioactive compounds for drug development.
Keywords: Coriandrum sativum L., traditional medicine, antioxidant, antimicrobial, anti-inflammatory
Evaluation of toxicity, antispasmodic, and analgesic activities of Improved Traditional Medicine (ITM) based on Diospyros mespiliformis and Combretum micranthum indicated in the treatment of gastrointestinal disorders
Full text linkThis study focused on an improved traditional herbal medicine (ITHM) used in capsule form for the treatment of gastrointestinal disorders. This study aimed to investigate the phytochemistry, toxicity, and pharmacological activity of the ITM. ITM and extracts underwent phytochemical characterization tests and their dosages. Antioxidant, antispasmodic and analgesic properties and acute toxicity study were realized. Bioactive compounds, including flavonoids, saponins, tannins, etc. were detected. The total phenolic of the ITM were higher with 109.02±0.15 mg EAT/g. The highest total flavonoid content was obtained by the decocted with 17.04±0.25 mg EQ/g and ITM with 16.91± 0.80 mg EQ/g. ITM had the best antioxidant activity by the DPPH method with an IC50 of 24.65 ± 1.05 µg/ml; the decocted had the best activity by the ABTS method with an IC50 of 12.86 ± 0.95 µg/ml and the extracts and ITM had significantly the same activities by LPO method, hence the choice of ITM for the rest of the pharmacological activity. ITM has a low toxicity and an estimated LD50 of 5000 mg/kg. The maximum antispasmodic effect of ITM at the maximum concentration of 3.98 mg/mL was 87.30% with an effective concentration 50 (EC50) of 0.66±0.05 mg/mL. The analgesic effect of ITM was dose-dependent, with inhibition percentages at the dose of 50 mg/kg of 59.82%, that of 100 mg/kg of 64.73% and that of 150 mg/kg of 71.43%. The results on ITM provide a scientific basis for its use in the management of gastric pathologies.
Keywords: ITM; Phytochemicals; Antioxidants; Acute toxicity; Antispasmodic; Analgesic