Formulation, antimicrobial, and antioxidant effect of anti-acne serum containing extracts of striata scrophularia and rosemary plants
June 2025
Infectious diseases like acne, caused by bacteria and fungi, are prevalent worldwide. The rise of antibiotic-resistant bacteria has prompted the search for natural alternatives....
Advancements in minimally invasive transdermal drug delivery systems
April 2025
Minimally invasive drug delivery systems (MIDDS) have revolutionized pharmacological therapies by offering substitute techniques that improve therapeutic accuracy and efficacy while reducing pain, discomfort,...
Susceptibility testing of Escherichia coli and Salmonella enterica to plant essential oils and commercial antibiotics
June 2025
Antimicrobial resistance (AMR) is a global emergency linked to the indiscriminate use of drugs and can be transmitted through food, posing risks to human health. This study aimed to evaluate the antimicrobial...
Targeting Ngt1-mediated GlcNAc transport in Candida albicans: An in silico approach for antifungal therapy
July 2025
The commensal yeast, Candida albicans, has the enormous metabolic flexibility to utilize alternative carbon sources such as N-acetylglucosamine (GlcNAc) at infection sites, thereby facilitating its...
Exploring N-acetyl-1,3,4-oxadiazoline derivatives against Alzheimer's disease: ADMET, molecular docking, and DFT analysis
July 2025
Alzheimer's disease is a progressive neurodegenerative illness characterized by cognitive decline and memory loss. It is primarily caused by the buildup of neurofibrillary tangles made of hyperphosphorylated...
Identification of breast cancer biomarkers through bioinformatics approach
July 2025
Breast cancer (BC) remains a major global health burden, particularly among women, and early identification of molecular biomarkers is critical for improving diagnostic and therapeutic strategies. This...
In silico and in vitro investigation of anticancer effect of novel anthraquinone compound on MDA-MB-231 cells
May 2025
The serious adverse effects of chemotherapeutics forced to produce new bioactive substances such as anthraquinone derivatives....
An update on the role of inflammation in insulin resistance and islet β cell failure- A crosstalk between immune cells, adipose tissue, cytokines, and oxidative stress
March 2025
One of the characteristics of type 2 diabetes mellitus (T2DM) is the growing malfunctioning of β-cells and the presence of insulin resistance. The recent literature on this aspect is reviewed in this...
Simulation, 3D-QSAR, molecular docking and pharmacophore mapping studies on indole derivatives as aromatase inhibitors
January 2025
Aromatase inhibition is a proven strategy for the treatment of ER+ breast cancer, which accounts for more than 70 % of cases of breast cancer. Indole-based aromatase inhibitors have changed the dynamics...
Curcumin-pyrazole a molecular hybrids as potential androgen receptor inhibitors for prostate cancer treatment through molecular docking, ADMET and cytotoxicity prediction, pharmacophore modeling, MDS, and DFT approaches
April 2025
Prostate cancer is a significant cause of cancer-related mortality in men globally. The androgen receptor is a crucial target for drug development. This study investigates curcumin-pyrazole hybrids,...
AI-driven in silico discovery, design, and evaluation of novel antiviral candidates targeting Marburg virus nucleoprotein for advanced therapeutic development
March 2025
Marburg virus disease (MVD) is a highly virulent hemorrhagic fever caused by the Marburg virus (MARV), with case fatality rates reaching up to 90 %. Currently, no FDA-approved antiviral drugs exist...
Computational and biological perspective of phytoconstituents and their synthetic derivatives in antidiabetic therapy
May 2025
The global rise in diabetes has intensified the search for safer, multi-target therapeutic options. Plant-based phytoconstituents and their synthetic derivatives are drawing attention for their promising...
TRPV receptors in pain research: Bridging molecular mechanisms to clinical treatments
Available online 24 July 2025
The cation channels known as transient receptor potential vanilloid (TRPV) are shown in various groups of tissues, such as the heart, lung, and brain, and in both excitable and non-excitable cells....
Development and evaluation of optimized molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil
April 2025
Our research described in this paper focuses on the development and evaluation of molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil (5-FU)....
Novel antimalarial 2-substituted quinoline thiosemicarbazone derivatives: Rational designing, molecular docking studies, ADME-tox properties, synthesis & in vitro activity
May 2025
Malaria remains a dangerous threat to nearly half of the world’s population, with the potential to be life-threatening. The most effective treatment currently available for uncomplicated and severe...
Drug designing and synthesis of novel diphenyl 1,3,4 oxadiazoles: Multi-targeted therapeutics for the treatment of malassezia-induced dandruff
January 2025
This article explores the potential of novel Diphenyl 1,3,4-oxadiazole as an anti-dandruff agent against Malassezia species. Mono-, di-, and triglycerides generated from human skin sebum are broken...
Computational and experimental evaluation of a dual COX inhibitor: Insights from DFT, molecular simulations, and in-vitro validation
February 2025
Inflammation, a fundamental aspect of numerous chronic disorders, is meticulously regulated by the cyclooxygenase enzymes COX-1 and COX-2, which are essential targets for anti-inflammatory treatments....
Garcinol: An emerging epigenetic modifier with versatile anticancer properties
May 2025
Garcinol, a phenolic compound found in the fruit rind of Garcinia plants has gained significant attention for its diverse bioactivities viz. antibacterial, anti-inflammatory, anti-oxidant, and neuroprotective...
Pharmacokinetic, synthesis and biological properties of rottlerin: Anticancer mechanism insights.
April 2025
Rottlerin is a natural plant polyphenol derived from the fruit of Mallotus philippensis and is widely recognized as a selective inhibitor of PKCδ. It has attracted significant attention due to its broad...
Network pharmacology and experimental verification reveals the anti-growth and anti-migration roles of allicin in non-small cell lung cancer
July 2025
Allicin is considered to have anti-tumor activity in lung cancer (LC), but the underlying molecular mechanism remains unclear. This study aimed to evaluate the pharmacological mechanism of allicin against...
Network pharmacology and molecular docking to explore the potential mechanism of Congerjingming Decoction against sensorineural hearing loss
April 2025
Established formulations of traditional Chinese medicine (TCM) have shown efficacy in the management of age-related sensorineural hearing loss (SNHL). In this study, we developed a novel TCM, Congerjingming...
Innovative approaches in insulin delivery: Exploring molecular techniques and system developments
July 2025
Diabetes is the most prevalent endocrine disease, divided into Type I and Type II, affecting a large number of people globally. The most effective and safest drug for reducing blood sugar levels is...
A comprehensive in-silico approach (pharmacophoric QSAR and docking-based comparative intermolecular analysis) led to identifying new PIM2 kinase inhibitors for treating resistant lymphomas
February 2025
Proviral integration sites of Moloney kinase 2 (PIM2) have emerged as a key target for developing treatments against resistant lymphomas....
The search for the holy grail: In silico design and analysis of a non-sedative third generation, cetirizine-derived H1R anti-histamine with reduced hERG toxicity
February 2025
Second-generation antihistamines, such as cetirizine, are widely used to treat allergic conditions due to their reduced sedation compared to first-generation drugs. However, cetirizine can still cause...
Exploring the mechanism of Grifolin in inhibiting the malignant progression of colon cancer cells mediated by the PDGFRB/PI3K/AKT signaling pathway based on bioinformatics analysis and network pharmacology
February 2025
Colon cancer is one of the most common malignant tumors worldwide, which seriously threatens human life and health. Grifolin is a small molecule compound that has been shown to inhibit the malignant...