Chemicals and Drugs Commons^™

Greener Synthesis Of Pdi Ligands Using A Microwave Reactor, Gabrielle E. Leonhardt, Abbigale S. Holjes, Kyle A. Grice

DePaul Discoveries

Two pyridinediimine (PDI) ligands were synthesized using green chemistry principles to minimize environmental impact and maintain synthetic efficiency. Previous syntheses require hazardous solvents and long reaction times. The reaction was carried out with a safer solvent, ethanol, and more rapidly using a CEM Discover microwave reactor. The PDI ligand was chosen for the scaffold for the aromatic core and support for different aniline derivatives. Comparative investigation of aniline electronics showed that 2,6-dimethylaniline was more successful than the electron-withdrawing electronics of 2,6-dichloroaniline. Synthesized complexes were characterized with proton nuclear magnetic resonance (NMR). The environmentally conscious microwave reaction produced effective and reproducible …

Testing Elicitors Of Homologous Jadr2 Proteins To Regulate Natural Product Production, Carzon J. Williams, Emilee A. Patterson, Allison S. Walker

SPARK Symposium Presentations

The growing threat of antimicrobial resistance (AMR) has and will contribute to global economic and public health concerns in the foreseeable future leading into 2050. As mortality rates derived from AMR are projected to reach 10 million if no viable solution is found to combat it through hastened drug discovery. The use of natural products to mitigate AMRs effects is viable as more than 50% of FDA approved drugs are natural products. These natural products are synthesized by biosynthetic gene clusters (BGC), found in bacteria with a regulatory protein not allowing transcription until unbound . Current methods of eliciting the …

Dabrafenib-Induced Cutaneous Eruptions In A Patient With Langerhans Cell Histiocytosis, Jaanvi Mehta, Julianna Tolotta, Eleanor Matthews, Daniel Joffe, Safiyyah Bhatti, Lauren Banner, Jenna Mandel, Molly Wallace, Timothy G. Webster, Jason B. Lee, Neda Nikbakht

Department of Dermatology and Cutaneous Biology Faculty Papers

Langerhans cell histiocytosis (LCH) is a rare malignancy marked by clonal proliferation of Langerhans cells, with BRAF V600E mutations identified in over 50% of the cases. BRAF inhibitors (BRAFi), such as dabrafenib, have shown efficacy in treating BRAF V600E-mutant LCH. However, BRAFi therapy is associated with cutaneous adverse effects, including the development of new melanocytic nevi, verrucae, and keratinocyte carcinoma (KC). This case report describes a 78-year-old woman with BRAF V600E-mutant LCH who developed multiple dermatologic side effects following dabrafenib salvage therapy. Seven weeks into treatment, the patient presented with eruptive palmoplantar nevi, verrucae, and a basal cell carcinoma (BCC). …

A Phase Ii Trial Of Defactinib Combined With Avutometinib In Patients With Metastatic Uveal Melanoma, Rino S. Seedor, Mizue Terai, Sergei A. Koshkin, Andrew E. Aplin, Marlana Orloff, Erin Sharpe-Mills, Madeleine Naccarato, Aurora Mills, Alfredo A. Molinolo, J. Silvio Gutkind, Takami Sato

Kimmel Cancer Center Faculty Papers

Background: Treatment options are limited, and outcomes remain poor for patients with metastatic uveal melanoma (MUM). We conducted an investigator-initiated, prospective, single-arm, single-institution, phase II study evaluating the combination of an FAK inhibitor (defactinib) with a RAF/MEK inhibitor (avutometinib) for the treatment of MUM. Methods: From February 2021 through January 2023, 12 patients with MUM were treated with the combination of defactinib and avutometinib. Defactinib was given 200 mg twice daily, and avutometinib was given 3.2 mg twice a week. Both drugs were given for 3 weeks on and 1 week off (28-day cycle). Disease control rate was the primary …

Decoding The Allosteric Grammar Of Protein Kinases: A Dual-Stream Framework Integrating Protein Language Models And Energy Landscape Frustration Analysis, Will Gatlin, Max Ludwick, Lucas Turano, Brandon Foley, Kamila Riedlova, Vít Škrhák, Marian Novotný, David Hoksza, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

The spatial and energetic encoding of allosteric regulatory sites remains a major challenge in structural biology, frequently representing a “blind spot” for sequence-based artificial intelligence (AI) models. We present a protein language model (PLM)-guided approach complemented by the energy landscape frustration analysis as a dual-stream framework to investigate the relationship between AI prediction of binding sites and biophysical organization of regulatory pockets across the human kinome. By probing a fine-tuned residue-level PLM classifier across 453 kinase structures, a clear performance gap is discovered between highly predictable orthosteric pockets (Types I, I.5, and II) and poorly resolved distal allosteric sites (Type …

Identification Of Active Compounds And Antidiabetic Activity Of Red Shoot (Syzygium Myrtifolium) Leaves Extract With In Vitro And In Silico Methods, Muhamad Iqbal Prakoso, Siti Warnasih

Pharmaceutical Sciences and Research

Diabetes mellitus (DM) is a chronic metabolic disease that affects approximately 537 million people worldwide (1 in 10 individuals), and its prevalence is projected to reach 783 million by 2045. One of the plants that has the potential to be an antidiabetic is red shoots (Syzygium myrtifolium) since it contains various secondary metabolite compounds such as flavonoids, triterpenoids, steroids, saponins, phenolics, and anthocyanins. This study aimed to evaluate the antidiabetic properties of red shoot leaves extract and to identify and predict interactions between its active compounds and the α-glucosidase receptor. Ethanol, ethyl acetate, and n-hexane extracts of red …

Biophysical Insights Into A Cryptic Ligand Site In The Hydrophobic Core Of Human Pcna, Alexis N. Dispensa, Sharon N, Greenwood, Jason Yang, Daniel E. Logatto, James Fusco, E. Railey White, Roderic G. Eckenhoff, Zhiwei Liu, Brian P. Weiser

Department of Anesthesiology Faculty Papers

Proteins contain small pockets that form due to imperfections in residue packing or the rotational and conformational movement of amino acids. In this work, we used the fluorescent probe 1-aminoanthracene (AMA) to detect a small ligand pocket in the hydrophobic core of human proliferating cell nuclear antigen (PCNA), which is a critical protein for DNA replication and repair. Fluorescence measurements of AMA reported that the core of PCNA had a dielectric constant (ε) of 4, which was very apolar and similar to cyclohexane (ε = 2). Protein mutagenesis, photoaffinity labeling, and molecular dynamics simulations localized the binding site for AMA …

Tranexamic Acid In High-Risk Shoulder Arthroplasty Patients: Safety Across Thromboembolic, Cardiac, Renal, And Neurologic Risk Profiles, Tarishi Parmar, Akin Adio, Asim Handy, Mohammad Daher, Alec Kellish, Adam Khan, Joseph A. Abboud

Rothman Institute Papers

INTRODUCTION: Tranexamic acid (TXA) effectively reduces blood loss and transfusion requirements in shoulder arthroplasty. However, concerns regarding thromboembolic, neurologic, cardiac, and renal complications have limited its use in medically high-risk patients. This study evaluated temporal trends and the safety of TXA in high-risk patients undergoing total shoulder arthroplasty (TSA).

METHODS: A retrospective cohort study was conducted using TriNetX, identifying patients who underwent shoulder arthroplasty (2012-2025). Patients were stratified by preexisting high-risk conditions, including prior thromboembolism, renal failure, atrial fibrillation, seizure disorders, and visual disturbances. Within each subgroup, patients receiving TXA were propensity score-matched to those who did not. Perioperative TXA …

July 2026, Swosu Rural Health Center

RURAL ROCKS

Rural Health Center

As we prepare to kick off our first semester in the new Jerry & Margaret Hodge College of Pharmacy and Rural Health Center, there is a lot to be excited about! It has been incredible to watch this vision become a reality, and we can't wait to welcome students, faculty, healthcare partners, and community members into a space designed to strengthen rural healthcare across western Oklahoma. The opportunities for collaboration, education, and innovation are endless, and we are especially looking forward to creating more hands-on learning experiences for our students while continuing to build strong partnerships that …

In Silico Screening And Molecular Analyses Identify Apigenin From Scutellaria Barbata As A Potent Akt1 Inhibitor In Breast Cancer, Md. Maruf Khan, Md. Arju Hossain, Fatematuz Zohora, Md. Sohel, Md. Faisal Amin, Fatematuz Zuhura Evamoni, M. Nazmul Hoque

School of Integrative Biological & Chemical Sciences Faculty Publications

Breast cancer (BC) remains a leading cause of cancer-related mortality in women worldwide. Scutellaria barbata, a traditional Chinese medicinal herb, possesses recognized anticancer properties, but its mechanistic role in BC is not fully elucidated. This study employed an integrated in silico approach to identify the key flavonoids, targets, and pathways through which S. barbata exerts its anti-BC effects. A multi-step computational methodology incorporating network pharmacology, molecular docking, and dynamics simulations was utilized to profile bioactive compounds from S. barbata. From an initial set of 34 phytocompounds, three flavonoids namely apigenin, 4’-hydroxywogonin, and hispidulin demonstrated favorable drug-likeness, high bioavailability, …

Beyond The Expected Window: A Rare Presentation Of Acei-Associated Angioedema Two Decades Into Therapy, Taiwo Ajani, Jose J. Loayza Pintado, Renzo Aller Rojas, Jorge Aboytes Trevino, Michelle Lopez

Research Colloquium

Introduction: Angiotensin-converting enzyme inhibitor–induced angioedema (ACEI-AE) is a rare but potentially serious adverse effect of a widely used class of antihypertensives. It typically presents as non-pitting, non-pruritic swelling of the face, lips, tongue, or upper airway, often without associated urticaria. Although most cases occur within the first weeks of treatment, delayed presentations, sometimes after years of stable therapy, have been increasingly recognized. The condition is bradykinin-mediated and often does not respond to standard allergy medications such as antihistamines or corticosteroids.

Case Presentation: A 56-year-old woman with a medical history of hypertension, type 2 diabetes, GERD, and seasonal allergies presented to …

Antimicrobial Susceptibility And Targeted Molecular Detection Of Methicillin Resistance Determinants In Staphylococcus Spp. Isolated From Broiler Bco Lesions, Woro Wulandari Kalanjati, Chrystalee Ailani Alvarez, Anh Dang Trieu Do, Adnan Ali Khalaf Alrubaye

School of Integrative Biological & Chemical Sciences Faculty Publications

Background/Objectives: Antimicrobial resistance (AMR) in Staphylococcus spp. associated with poultry production is an emerging concern with implications for animal and public health. This study aimed to characterize antimicrobial susceptibility patterns and detect targeted methicillin resistance determinants in Staphylococcus isolates recovered from broiler chickens affected by bacterial chondronecrosis with osteomyelitis (BCO). Methods: A total of 200 bacterial isolates were evaluated, of which 167 were confirmed as Staphylococcus spp. Species identification was performed using presumptive phenotypic characterization followed by 16S rRNA gene sequencing. Antimicrobial susceptibility was assessed using disk diffusion, while presumptive methicillin-resistant phenotypes were evaluated using oxacillin screening and CHROMagar MRSA. …

Calcium Signaling And Postsynaptic Density Dynamics: The Roles Of Calmodulin In Synaptic Protein Regulation, Keyaa Dilip Shah, Yonghong Zhang

School of Integrative Biological & Chemical Sciences Faculty Publications

Calcium signaling in neuronal cells is the principal mechanism underlying learning and synaptic plasticity, whereas the postsynaptic density (PSD) is an important center where calcium-dependent processes are organized and regulated. This review explores the roles of calmodulin (CaM) in facilitating calcium-dependent modulation of the activities of synaptic proteins in the PSD. We focus on the molecular processes through which CaM interacts with calcium signals to regulate the function, localization, and interactions of central synaptic proteins, including calcium/calmodulin-dependent protein kinase II (CaMKII), membrane-associated guanylate kinases (MAGUKs), and N-methyl-D-aspartate (NMDA) receptors. We aim to summarize recent advances in structural, biochemical, and imaging …

June 2026, Swosu Rural Health Center

RURAL ROCKS

Rural Rocks

Second Generation Antipsychotics in the Treatment of Depression

Dr. Debra L. Stevens, Pharm.D., BCPP 

Major depressive disorder (MDD), also known as depression, affects 1 in 5 individuals in their lifetime.¹ Worldwide approximately 246 to 286 million individuals are afflicted with MDD.² MDD may cause significant morbidity and disability. The World Health Organization estimates that MDD will be one of the leading causes of disease burden by 2030.²

A significant number of patients diagnosed with MDD do not respond adequately despite appropriate treatment with antidepressants.² Treatment resistance may occur in up to one-third of patients …

Computational Insights Into Nucleosome Dynamics In Epigenetics Using Molecular Dynamics Simulations, Rutika Patel

Dissertations, Theses, and Capstone Projects

Nucleosome core particles (NCP) are the building blocks that form a highly organized and compact chromatin structure. Nucleosomes package DNA in the nucleus of eukaryotic cells. The NCP consists of about 147 base pairs of DNA wrapped around the histone octamer, with 1.65 superhelical turns in a left-handed manner. The histone octamer is composed of two copies of H3, H4, H2A, and H2B. Together with histone H1 and linker DNA, they further assemble into a higher-order chromatin structure. The nucleosome complex is stabilized by electrostatic interactions between positively charged histone residues and the negatively charged DNA backbone. To effectively access …

Evaluation Of Neuroplastic Changes In Psychological Intervention And Contemporary Treatments Of Depression, Taylor Severance

Dissertations

Major depressive disorder is one of the most prevalent mental health disorders worldwide. There is a vast range of treatment options for depression, with varying levels of effectiveness. Recent treatments for depression have expanded, increasing alternative treatments, and it is unknown which treatments have the largest impact on depression. This research was designed to examine the treatments of depression, with a focus on psychotherapy and contemporary treatments such as ketamine, psilocybin, and transcranial magnetic stimulation. A literature review was conducted to assess treatment outcomes and neuroplastic changes in these interventions, as well as combinations of the interventions. Data were evaluated …

Independent And Combined Effects Of Early-Life Iron Deficiency And Antibiotic Exposure On Growth And Hematological Outcomes In A Piglet Model, Ginger M. Fitzpatrick

Master's Theses

Iron deficiency (ID) affects over 2 billion individuals globally. Children under 5 are at increased risk of ID due to rapid growth and are especially vulnerable to its negative consequences because of iron’s essential role in cognitive development and immune maturation. ID is the leading cause of iron deficiency anemia (IDA), with IDA affecting approximately 40% of children in this age group. Antibiotic (abx) exposure is also prevalent during early life and may disrupt growth and through gut dysbiosis, with increasing use posing additional risk in younger populations. Geographically, there is overlap in regions with high anemia prevalence and those …

Evaluating The Market Withdrawal Of Andexanet Alfa, Jordyn Linfield, Addisyn Cooper, Alexander Defranco, Emma Gerding, Jessica Kelley, Tyler Henney, Connor Dains, Brenna Hissong, Brittany Bates

Pharmacy and Wellness Review

The coagulation cascade comprises intrinsic, extrinsic, and common pathways that converge when thrombin converts fibrinogen (factor I) into fibrin, leading to fibrin mesh formation, stabilization of the platelet plug, and ultimately thrombus formation. Inhibition of the coagulation cascade can be achieved with a variety of anticoagulant medications, including direct oral anticoagulants (DOACs). The mechanism of action of DOACs is to inhibit either factor Xa or thrombin. Reversal of anticoagulation remains an important clinical consideration when managing patients on DOACs who experience serious bleeding events. Andexanet alfa is a recombinant, modified human factor Xa protein previously indicated for patients receiving rivaroxaban …

The Cannabis Motivation Spectrum: Comparing Medical, Recreational And Dual Intent Users, Addyson Domian, Jacob Borodovsky

Wetterhahn Science Symposium Posters

There is a lack of a standardized definition of “medical” cannabis use in the healthcare industry, which has led to an informal, user-reported definition of medical use. Consequently, individuals who use cannabis for both medical and recreational reasons (dual intent) are not always differentiated from pure medical or pure recreational users. This study compares self-defined medical only and dual intent motivational groups relative to recreational only users to better understand how these groups differ by analyzing sociodemographic and use patterns, clinically relevant factors, and claimed cannabis-related benefits. Using data from the Qualtrics Cannabis Exposure Index survey instrument of 8836 adult …

Effects Of Normothermic Hepatic Ischemia–Reperfusion Injury On The Hepatic Disposition Of Arachidonic Acid And Its Cytochrome P450-Generated Metabolites In Rats, Vindhya Edpuganti, Reza Mehvar

Pharmacy Faculty Articles and Research

Purpose

Cytochrome P450 (P450) metabolites of arachidonic acid (AA) are potential therapeutic targets in ischemia–reperfusion (IR) injury, yet their disposition and actions in hepatic IR are unknown. Cellular AA and its P450 metabolites are primarily bound to lipid membranes, resulting in negligible free concentrations. This study investigates how hepatic IR injury impacts the disposition of free AA and its major P450 metabolites in rats.

Methods

Rats underwent 60 min of partial (70%) ischemia or sham surgery, followed by 5 min, 3 h, or 24 h of reperfusion. The effects of IR injury on free concentrations of AA and its major …