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Abstract Generative artificial intelligence is reshaping how researchers discover protein-binding compounds and develop them into drug candidates. Unlike traditional methods that screen existing molecules, structure-base...

Computer-aided drug discovery and design involve the use of information technologies to identify and develop, on a rational ground, chemical compounds that align a set of desired physicochemical and biological properties...

1,2,3-triazole represents a class of nitrogen-containing heterocyclics with a wide range of biological activity. The medicinal applications of 1,2,3-triazole derivatives, including antioxidant, antimicrobial, antiviral, ...

This updated Campbell systematic review examines the effectiveness incarceration‐based drug treatment interventions in reducing postrelease recidivism and drug use. The review summarises findings from 74 studies, 65 of...

Drug-induced cardiac arrhythmias are central to physiology and pharmacology education, yet students often struggle to connect electrophysiological mechanisms with dynamic electrocardiographic (ECG) changes. We developed ...

A systematic Analytical Quality by Design (AQbD) approach was applied to the development and validation of a UHPLC–MS/MS method for the determination of hallucinogenic phenethylamine-derived novel psychoactive substanc...

Zi-Xiu Gou, Ning-Wei Li, Jun-Yi Yao, Yun-Liang Wang Department of Gastroenterology, Dongfang Hospital, Beijing University of Chinese Medicine, Beijing, People’s Republic of ChinaCorrespondence: Yun-Liang Wang, Departme...

Researchers in pharmacy are paying increasingly close attention to nanogel-based multifunctional drug delivery systems, particularly hybrid nanogels and multicompartment nanogels because they can lead to the achievement ...

Lead optimization (LO) is essential to fulfill the efficacy and safety requirements of drug-based targeted therapy. The ease with which water may be locally removed from around the target protein crucially influences LO ...

Endothelial glycocalyx dysregulation remains the leading cause of the development and progression of cardiovascular diseases, which can increase the risk of organ failure and even cause death. However, the construction o...

Abstract Fatty acid ethanolamides (FAEs) are bioactive lipids with amphiphilic properties and potential as prodrugs. In this study, a homologous series of FAEs (C8:0–C18:0) was evaluated for solubility, hydrophobicity,...

Leishmaniasis is a public health disease that requires the development of more effective treatments and the identification of novel molecular targets. Since blocking the PI3K/AKT pathway has been successfully studied as ...

Abstract. With levels of medicine and pharmacology individualization constantly increasing, the scientific community is becoming seriously concerned about the safety of existing and developing drugs for the pediatric pop...

There is a wealth of structural data on peptides that bind potential drug targets, serving as rich inspiration for designing small molecule inhibitors which can recapitulate key binding interactions while improving pharm...

Abstract Management of immune thrombocytopenia (ITP) in dogs and cats is evolving, but there are no evidence‐based guidelines to assist clinicians with treatment decisions. Likewise, the overall goals for treatment of ...

Macromolecular crystallography provides mechanistic understanding of biological processes and can be applied in drug design. Nowadays, the use of robotic systems for crystal growth and diffraction analysis is widespread ...

Abstrak Penelitian ini mengkaji hambatan legalisasi ganja medis di Indonesia dalam kondisi stagnasi kebijakan, meskipun terdapat dinamika global dan perkembangan bukti ilmiah. Kajian ini bertumpu pada kerangka hukum n...

Computational modeling of protein-protein interactions (PPIs) is a high priority because it is essential for understanding nearly all cellular functions and for addressing the limitations of time-consuming experimental m...

Bone and cartilage regeneration can be improved by designing a functionalized biomaterial that includes bioactive drugs in a biocompatible and biodegradable scaffold. Based on our previous studies, we designed a vanadium...

Abstract Immune checkpoint inhibitors (ICIs) have fundamentally altered the therapeutic paradigm for head and neck squamous cell carcinoma (HNSCC); however, durable clinical benefit remains limited to biologically define...

This Campbell systematic review examines the effects of recovery schools on student behavioral and academic outcomes, compared to the effects of non‐recovery schools. The review summarizes evidence from one quasi‐exp...

Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs. We develop an approach to detect noncovale...