computational-drug-discovery-methods

IntroductionThe treatment of neuropathic pain with traditional and adjuvant analgesics is limited in efficacy and associated with severe adverse effects. Our group has previously shown that somatostatin, released from capsaicin-sensitive peptidergic sensory nerve terminals, mediates analgesic and anti-inflammatory effects at the peripheral and central levels via the somatostatin receptor subtype …

A new study finds that a class of oral and intranasal medications known as gepants may be an effective and well-tolerated treatment for vestibular migraine (VM).

Ozempic and similar weight-loss drugs were linked to a striking 30% reduction in breast cancer risk in a study of more than 110,000 women. Popular weight-loss and diabetes medications such as Ozempic, Wegovy, Mounjaro, and Zepbound may offer an unexpected benefit beyond helping people lose weight. A large new study found that women taking these [...]

A new oral GLP-1 medication helped people with type 2 diabetes dramatically improve blood sugar control and lose weight in a major clinical trial. The results suggest that highly effective diabetes treatments may soon become available in a much more convenient pill form.

The significance of the recent research is that if the protein signature discovered genuinely identifies people at particularly high risk, it could eventually help make screening programmes for lung cancer more efficient. But whether treatment with the drug Canakinumab actually reduces the incidence or progression of lung cancer remains uncertain

BackgroundZedoary Turmeric Oil (ZTO) is an active extract derived from the traditional Chinese medicine Ezhu, which is conventionally used to promote blood circulation, remove blood stasis, and relieve pain. Nevertheless, the therapeutic potential and underlying molecular mechanism of ZTO against tumor brain metastasis (BrM) remain poorly elucidated.MethodsThe anti-BrM efficacy of ZTO was firstly…

BackgroundChronic obstructive pulmonary disease (COPD) is a leading global health problem, with pulmonary emphysema as one of its hallmark pathological features. Matrix metalloproteinase-9 (MMP-9), predominantly derived from alveolar macrophages, has been implicated in extracellular matrix degradation. However, the upstream regulatory signals responsible for MMP-9 induction in cigarette smoke (CS…

BackgroundHypertension-induced cardiac fibrosis leads to heart failure. Large-conductance calcium-activated potassium (BK) channels regulate vascular tone, and their activation may mitigate fibrosis. This study explores the impact of BK channel activation on angiotensin II (Ang II)-induced hypertension and cardiac fibrosis and its effects on nuclear factor-kappa B (NFκB) signaling.MethodsMale C57…

BackgroundUpadacitinib, a selective Janus kinase 1 (JAK1) inhibitor, has demonstrated efficacy in inflammatory bowel disease (IBD). However, safety data in real-world Asian populations remain limited. This study aimed to characterize the adverse event (AE) profile of upadacitinib by integrating large-scale pharmacovigilance data with real-world clinical evidence.MethodsWe conducted a dual-source …

BackgroundCyproheptadine hydrochloride (CH) possesses both antihistaminic and appetite-stimulating properties, suggesting therapeutic potential for children with failure to thrive (FTT) and food allergies. This study evaluated the effects of CH on growth parameters, clinical manifestations, and serum levels of appetite-regulating peptides Nesfatin-1 and NUCB2 in children aged 1–3 years with FTT a…

Tuberculosis remains a leading cause of global mortality, with the rise of multidrug resistant and extensively drug-resistant Mycobacterium tuberculosis strains highlighting an urgent need for novel therapeutics. The mycobacterial cell wall has long served as a validated drug target, owing to its unique architecture comprising arabinogalactan, peptidoglycan, and mycolic acids. This review provide…

Hepatocellular carcinoma (HCC) is one of the deadliest malignant tumors in the world, and the available targeted therapies (e.g., sorafenib, lenvatinib) have limited options and frequent drug resistance. Lysosome-dependent cell death (LDCD), characterized by increased lysosomal membrane permeabilization (LMP) and the release of proteases, has attracted considerable attention as a non-apoptotic me…

An estimated five to eight percent of people in Germany suffer from an autoimmune disease such as asthma, rheumatoid arthritis, or inflammatory bowel disease. Developing new drugs to treat these conditions is a lengthy and complex process. To significantly accelerate research, Markus Rehberg works a...

Monash University researchers have found in laboratory experiments that a drug which delivers copper to the brain significantly reduces toxic Alzheimer's proteins and improves long-term spatial memory.

IntroductionIn Austria, veterinary medicinal products (VMPs) containing penicillin G or cefoperazone are frequently used to treat dairy cows, which leads to the production of non-saleable waste milk. This study aimed to determine the loss of detectable antimicrobial activity of penicillin G and cefoperazone using a commercial ß-lactamase preparation, Antipen®.MethodsUltra-high-temperature (UHT) p…

IntroductionCorticosteroid-antibiotic combinations are commonly used in veterinary ophthalmic practice, yet the potential for corticosteroids to modulate antimicrobial susceptibility remains incompletely characterized. This study evaluated the in vitro effects of fluorometholone (FML) on the antimicrobial susceptibility of three major canine ocular pathogens—Staphylococcus pseudintermedius, Strep…

IntroductionNatural products, especially polyphenol-rich medicinal plants, are increasingly investigated as multitarget therapeutics in both human and veterinary medicine for angiogenic regenerative properties and for inflammation based-diseases. Recent developments in natural product formulation, notably microencapsulation, have been shown to improve stability, bioavailability, and controlled re…

Women on menopausal hormonal therapy face a decreased risk of low bone mineral density compared to those not using it, according to a study being presented Sunday at ENDO 2026, the Endocrine Society's annual meeting in Chicago, Ill.