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JOURNAL ARTICLE
Anila M Menon, Nagamalli Naga Sidhartha, Ipsha Shruti, Ajay Suresh, Ravindra Meena, Amol G Dikundwar, Deepak Chopra
The formulation of drug with improved bioavailability is always challenging and indispensable in the field of pharmaceutics. The control of intermolecular interactions via crystal engineering approach and solid-state molecular recognition results in the formation of active drug molecules with modulated pharmacological benefits. Therefore, with the aim to improve the solubility and dissolution rate of the drug chlorpropamide ( CPA ), the mechanochemical liquid-assisted grinding (LAG) of the drug with several pharmaceutically accepted excipients was performed...
April 30, 2024: Molecular Pharmaceutics
#2
JOURNAL ARTICLE
Charlotte M N Allerton, Joel T Arcari, Lisa M Aschenbrenner, Melissa Avery, Bruce M Bechle, Mohammad Amin Behzadi, Britton Boras, Leanne M Buzon, Rhonda D Cardin, Natasha R Catlin, Anthony A Carlo, Karen J Coffman, Alyssa Dantonio, Li Di, Heather Eng, Kathleen A Farley, Rose Ann Ferre, Steven S Gernhardt, Scott A Gibson, Samantha E Greasley, Siennah R Greenfield, Brett L Hurst, Amit S Kalgutkar, Emi Kimito, Lorraine F Lanyon, Gabrielle H Lovett, Yajing Lian, Wei Liu, Luis A Martínez Alsina, Stephen Noell, R Scott Obach, Dafydd R Owen, Nandini C Patel, Devendra K Rai, Matthew R Reese, Hussin A Rothan, Sylvie Sakata, Matthew F Sammons, Jean G Sathish, Raman Sharma, Claire M Steppan, Jamison B Tuttle, Patrick R Verhoest, Liuqing Wei, Qingyi Yang, Irina Yurgelonis, Yuao Zhu
Despite the record-breaking discovery, development and approval of vaccines and antiviral therapeutics such as Paxlovid, coronavirus disease 2019 (COVID-19) remained the fourth leading cause of death in the world and third highest in the United States in 2022. Here, we report the discovery and characterization of PF-07817883, a second-generation, orally bioavailable, SARS-CoV-2 main protease inhibitor with improved metabolic stability versus nirmatrelvir, the antiviral component of the ritonavir-boosted therapy Paxlovid...
April 30, 2024: Journal of Medicinal Chemistry
#3
JOURNAL ARTICLE
Adam G Berger, Charles DeLorenzo, Chau Vo, Justin A Kaskow, Namita Nabar, Paula T Hammond
Localized short interfering RNA (siRNA) therapy has the potential to drive high-specificity molecular-level treatment of a variety of disease states. Unfortunately, effective siRNA therapy suffers from several barriers to its intracellular delivery. Thus, drug delivery systems that package and control the release of therapeutic siRNAs are necessary to overcome these obstacles to clinical translation. Layer-by-layer (LbL) electrostatic assembly of thin film coatings containing siRNA and protonatable, hydrolyzable poly(β-aminoester) (PBAE) polymers is one such drug delivery strategy...
April 30, 2024: Biomacromolecules
#4
JOURNAL ARTICLE
Chen Tang, Pei Chen, Lin-Lin Xu, Ji-Cheng Lv, Su-Fang Shi, Xu-Jie Zhou, Li-Jun Liu, Hong Zhang
BACKGROUND: The therapeutic options for IgA nephropathy are rapidly evolving, but early diagnosis and targeted treatment remain challenging. We aimed to identify circulating plasma proteins associated with IgA nephropathy by proteome-wide mendelian randomization studies across multiple ancestry populations. METHODS: In this study, we applied Mendelian randomization and colocalization analyses to estimate the putative causal effects of 2615 proteins on IgA nephropathy in Europeans and 235 proteins in East Asians...
April 30, 2024: Journal of the American Society of Nephrology: JASN
#5
JOURNAL ARTICLE
Franziska Fink, Ivonne Kalter, Jenny-Victoria Steindorff, Hans Konrad Helmbold, Denny Paulicke, Patrick Jahn
BACKGROUND: The use of drones in the health care sector is increasingly being discussed against the background of the aging population and the growing shortage of skilled workers. In particular, the use of drones to provide medication in rural areas could bring advantages for the care of people with and without a need for care. However, there are hardly any data available that focus on the interaction between humans and drones. OBJECTIVE: This study aims to disclose and analyze factors associated with user acceptance of drone-based medication delivery to derive practice-relevant guidance points for participatory technology development (for apps and drones)...
April 30, 2024: JMIR Human Factors
#6
JOURNAL ARTICLE
Virginia Wang, Chin-Hua Lily Wang, Magdalene M Assimon, Patrick H Pun, Wolfgang C Winkelmayer, Jennifer E Flythe
IMPORTANCE: Individuals with dialysis-dependent kidney failure have numerous risk factors for medication-related adverse events, including receipt of care by multiple clinicians and initiation of some QT-prolonging medications with known risk of torsades de pointes (TdP), which is associated with higher risk of sudden cardiac death. Little is known about the prescription and dispensation patterns of QT-prolonging medications among people receiving dialysis, hindering efforts to reduce drug-related harm from these and other medications in this high-risk population...
April 1, 2024: JAMA Network Open
#7
JOURNAL ARTICLE
Sourav Pakrashy, Souvik Chakraborty, Sounik Manna, Juli Nanda Goswami, Biswajit Bhattacharya, Franziska Emmerling, Jishu Mandal, Sourav Misra, Sujata Maiti Choudhury, Mohammad K Okla, Adity Bose, Pawan Kumar Maurya, Anjoy Majhi, Malay Dolai
We have semi-synthesized a natural product 7-acetylhorminone from crude extract of Premna obtusifolia (Indian headache tree), which is active against colorectal cancer after probation through computational screening methods as it passed through the set parameters of pharmacokinetics (most important nonblood-brain barrier permeant) and drug likeliness (e.g., Lipinski's, Ghose's, Veber's rule) which most other phytoconstituents failed to pass combined with docking with EGFR protein which is highly upregulated in the colorectal carcinoma cell...
April 30, 2024: ACS Applied Bio Materials
#8
JOURNAL ARTICLE
Vera Battini, Marianna Cocco, Maria Antonietta Barbieri, Greg Powell, Carla Carnovale, Emilio Clementi, Andrew Bate, Maurizio Sessa
INTRODUCTION: Current drug-drug interaction (DDI) detection methods often miss the aspect of temporal plausibility, leading to false-positive disproportionality signals in spontaneous reporting system (SRS) databases. OBJECTIVE: This study aims to develop a method for detecting and prioritizing temporally plausible disproportionality signals of DDIs in SRS databases by incorporating co-exposure time in disproportionality analysis. METHODS: The method was tested in the Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS)...
April 30, 2024: Drug Safety: An International Journal of Medical Toxicology and Drug Experience
#9
REVIEW
Charles R Wira, Thomas Kearns, Alex Fleming-Nouri, John D Tyrrell, Christina M Wira, Ani Aydin
PURPOSE OF REVIEW: To evaluate the adverse effects of common antihypertensive agents utilized or encountered in the Emergency Department. RECENT FINDINGS: All categories of antihypertensive agents may manifest adverse effects, inclusive of adverse drug reactions (ADRs), drug-to-drug interactions, or accidental overdose. Adverse effects, and specifically ADRs, may be stratified into the organ systems affected, might require specific time-sensitive interventions, could pose particular risks to vulnerable populations, and may result in significant morbidity, and potential mortality...
April 30, 2024: Current Hypertension Reports
#10
JOURNAL ARTICLE
Yunjiong Liu, Peiliang Zhang, Chao Che, Ziqi Wei
Drug combination therapies are well-established strategies for the treatment of cancer with low toxicity and fewer adverse effects. Computational drug synergy prediction approaches can accelerate the discovery of novel combination therapies, but the existing methods do not explicitly consider the key role of important substructures in producing synergistic effects. To this end, we propose a significant substructure-aware anticancer drug synergy prediction method, named SDDSynergy, to adaptively identify critical functional groups in drug synergy...
April 30, 2024: Journal of Chemical Information and Modeling
#11
JOURNAL ARTICLE
Kimberly Sakai, Ellen R Bradley, Joseph A Zamaria, Gabrielle Agin-Liebes, D Parker Kelley, Alexander Fish, Valeria Martini, Michelle C Ferris, Emma Morton, Erin E Michalak, Aoife O'Donovan, Joshua D Woolley
RATIONALE: Treatments with the serotonergic psychedelic psilocybin are being investigated for multiple neuropsychiatric disorders. Because many patients with these disorders use selective serotonin reuptake inhibitors (SSRIs), understanding interactions between psilocybin and SSRIs is critical for evaluating the safety, efficacy, and scalability of psilocybin-based treatments. Current knowledge about these interactions is limited, as most clinical psilocybin research has prohibited concomittant SSRI use...
April 30, 2024: Psychopharmacology
#12
REVIEW
Narinderpal Kaur, Jatin Dabar, Pallavi Bassi
The virus known as monkeypox is the source of the zoonotic disease monkeypox, which was historically widespread in Central Africa and West Africa. The cases of monkeypox in humans are uncommon outside of West and Central Africa, but copious nonendemic nations outside of Africa have recently confirmed cases. People when interact with diseased animals, then, they may inadvertently contact monkeypox. There are two drugs in the market: brincidofovir and tecovirimat and both of these drugs are permitted for the cure of monkeypox by the US Food and Drug Administration...
March 1, 2024: Indian Journal of Pharmacology
#13
JOURNAL ARTICLE
Development of clobetasol-loaded biodegradable nanoparticles as an endodontic intracanal medicament.
Firas Elmsmari, José Antonio González Sánchez, Luis M Delgado, Marta Espina, Fernando Duran-Sindreu, Maria Luisa García, Elena Sánchez-López
AIM: The aim of current study is the development and optimization of biodegradable polymeric nanoparticles (NPs) to be used in the field of Endodontics as intracanal medication in cases of avulsed teeth with extended extra-oral time, utilizing PLGA polymers loaded with the anti-inflammatory drug clobetasol propionate (CP). METHODOLOGY: CP-loaded nanoparticles (CP-NPs) were prepared using the solvent displacement method. CP release profile from CP-NPs was assessed for 48 h against free CP...
April 30, 2024: International Endodontic Journal
#14
JOURNAL ARTICLE
Edoardo Jun Mattioli, Beatrice Cipriani, Francesco Zerbetto, Tainah Dorina Marforio, Matteo Calvaresi
Au(III) is highly reactive. At odds with its reduced counterpart, Au(I), it is hardly present in structural databases. And yet, it is the starting reactant to form gold nanoclusters (AuNCs) and the constitutive component of a new class of drugs. Its reactivity is a world apart from that of the iso-electronic Pt(II) species. Rather than DNA, it targets proteins. Its interaction with amino acid residues is manifold. It can strongly interact with the residue backbones, amino acid side chains and protein ends, it can form appropriate complexes whose stabilization energy reaches up to more than 40 kcal mol-1 , it can affect the p K a of amino acid residues, and it can promote charge transfer from the residues to the amount that it is reduced...
April 30, 2024: Journal of Materials Chemistry. B, Materials for Biology and Medicine
#15
JOURNAL ARTICLE
María de Las Nieves Piña, Antonio Bauzá
Herein we have investigated the formation and interplay of several noncovalent interactions (NCIs) involved in the inhibition of human monoamine oxidase B (MAO B). Concretely, an inspection of the Protein Data Bank (PDB) revealed the formation of a halogen bond (HlgB) between a diphenylene iodonium (DPI) inhibitor and a water molecule present in the active site, in addition to a noncovalent network of interactions (e.g. lone pair-π, hydrogen bonding, OH-π, CH-π and π-stacking interactions) with surrounding protein residues...
April 30, 2024: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
#16
JOURNAL ARTICLE
Rima D Alharthy, Sana Khalid, Shamool Fatima, Saeed Ullah, Ajmal Khan, Suraj N Mali, Rahul D Jawarkar, Sanjay S Dhabarde, Hamdy Kashtoh, Parham Taslimi, Ahmed Al-Harrasi, Zahid Shafiq, Nader M Boshta
Diabetes is a serious metabolic disorder affecting individuals of all age groups and prevails globally due to the failure of previous treatments. This study aims to address the most prevalent form of type 2 diabetes mellitus (T2DM) by reporting on the design, synthesis, and in vitro as well as in silico evaluation of chromone-based thiosemicarbazones as potential α-glucosidase inhibitors. In vitro experiments showed that the tested compounds were significantly more potent than the standard acarbose, with the lead compound 3n exhibiting an IC50 value of 0...
April 30, 2024: Archiv der Pharmazie
#17
JOURNAL ARTICLE
Pamela R Buckley, Katie Massey Combs, Karen M Drewelow, Brittany L Hubler, Marion Amanda Lain
As evidence-based interventions are scaled, fidelity of implementation, and thus effectiveness, often wanes. Validated fidelity measures can improve researchers' ability to attribute outcomes to the intervention and help practitioners feel more confident in implementing the intervention as intended. We aim to provide a model for the validation of fidelity observation protocols to guide future research studying evidence-based interventions scaled-up under real-world conditions. We describe a process to build evidence of validity for items within the Session Review Form, an observational tool measuring fidelity to interactive drug prevention programs such as the Botvin LifeSkills Training program...
April 30, 2024: Evaluation Review
#18
JOURNAL ARTICLE
Yongkang Chen, Xiaohong Li, Fengyang Han, Beihong Ji, Yuan Li, Jingjing Yan, Min Wang, Jun Fan, Shuye Zhang, Lu Lu, Peng Zou
Human enteroviruses are the major pathogens causing hand-foot-and-mouth disease in infants and young children throughout the world, and infection with enterovirus is also associated with severe complications, such as aseptic meningitis and myocarditis. However, there are no antiviral drugs available to treat enteroviruses infection at present. In this study, we found that 4'-fluorouridine (4'-FlU), a nucleoside analog with low cytotoxicity, exhibited broad-spectrum activity against infections of multiple enteroviruses with EC50 values at low micromolar levels, including coxsackievirus A10 (CV-A10), CV-A16, CV-A6, CV-A7, CV-B3, enterovirus A71 (EV-A71), EV-A89, EV-D68, and echovirus 6...
April 30, 2024: Antimicrobial Agents and Chemotherapy
#19
JOURNAL ARTICLE
Adarsh Gopinathan, Runali Sankhe, Ekta Rathi, Triveni Kodi, Raghavendra Upadhya, K Sreedhara Ranganath Pai, Anoop Kishore
Despite considerable improvement in therapy and diagnosis, brain tumors remain a global public health concern. Among all brain tumors, 80% are due to Glioblastoma. The average survival rate of a patient once diagnosed with glioblastoma is 15 months. Lately, the role of peptidase enzymes, especially Neprilysin, a neutral endopeptidase, is gaining attention for its role in tumor growth regulation. Neprilysin expressions are positively correlated with several tumors including GBM and reduced expression of NEP protein is associated with the pathogenesis of multiple tumors...
April 30, 2024: Journal of Biomolecular Structure & Dynamics
#20
JOURNAL ARTICLE
Kanika Devi, Anshuman Chandra, Virender Kumar, Jithesh Othayoth, Brijesh Rathi, Vijay Kumar Goel
The presence of drug-resistant variants of Plasmodium parasites within the population has presented a substantial obstacle to the eradication of Malaria. As a result, numerous research groups have directed their efforts towards creating new medication candidates that specifically target parasites. In this study, our main objective was to identify tri-peptide inhibitors for Plasmodium falciparum Dihydrofolate Reductase ( Pf DHFR) with the aim of finding a new peptide that exhibits superior binding properties compared to the current inhibitor, WR99210...
April 30, 2024: Journal of Biomolecular Structure & Dynamics
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