Medicinal Chemistry and Pharmaceutics Commons^™

Artificial Intelligence (Ai) In Pharmacy, Giang Nguyen, Elizabeth Sartschev, John Reyes, Allie Honigford, Marisa Petrunich, Kiley Devoll, Brianna Lu, Joshua Honaker, T'Bony M. Jewell

Pharmacy and Wellness Review

Artificial Intelligence (AI) has transformed the pharmaceutical field by enabling computer software systems to learn and perform human behavior. Specifically, AI has revolutionized chronic diabetes management through continuous glucose monitoring, showcasing its immense potential in healthcare. However, alongside its transformative impact, AI’s increasing role in healthcare has prompted concerns over privacy and its premature integration. Despite these challenges, AI offers limitless opportunities to improve medication management and treatment regimens, driving advancements across various domains. From improving CT imaging to enhancing adenoma detection in colonoscopies and facilitating medication adherence, AI’s impact on healthcare is profound. Furthermore, AI plays a pivotal role …

Molecular Modification Of Queen Bee Acid And 10-Hydroxydecanoic Acid With Specific Tripeptides: Rational Design, Organic Synthesis, And Assessment For Prohealing And Antimicrobial Hydrogel Properties, Song Hong, Sachin B. Baravkar, Yan Lu, Abdul Razak Masoud, Qi Zhao, Weilie Zhou

School of Medicine Faculty Publications

Royal jelly and medical grade honey are traditionally used in treating wounds and infections, although their effectiveness is often variable and insufficient. To overcome their limitations, we created novel amphiphiles by modifying the main reparative and antimicrobial components, queen bee acid (hda) and 10-hydroxyl-decanoic acid (hdaa), through peptide bonding with specific tripeptides. Our molecular design incorporated amphiphile targets as being biocompatible in wound healing, biodegradable, non-toxic, hydrogelable, prohealing, and antimicrobial. The amphiphilic molecules were designed in a hda(hdaa)-aa1-aa2-aa3 structural model with rational selection criteria for each moiety, prepared via Rink/Fmoc-tBu-based solid-phase peptide synthesis, and structurally verified by NMR and LC–MS/MS. …

Local Tissue Damage Treatment Of Snake Venom, Suchitra Khunsap

The Thai Journal of Veterinary Medicine

Local tissue damage caused by snake envenomation was a medical problem that caused morbidity and mortality for more than a decade, with no defined treatment guidelines. Nowadays, antivenom is the primary treatment for snakebite, which substantially reduces systemic venom but not significantly reducing local symptoms. We compiled a list of local damage therapies, including antivenom medication, surgery and skin grafting, small molecule medicines, and alternative therapies. Although each was not approved as a standard treatment, it may be a treatment option for tissue damage caused by snake venom. However, antivenoms and most resistant compounds may not be the best strategy …

Identification Of Fentanyl And Fentanyl Analogs Found In Human Urine Using Gas Chromatography-Mass Spectrometry, Adam M. Fisher

Electronic Theses & Dissertations (2024 - present)

Identification of fentanyl and its analogs in unknown samples is a frequent practice completed in forensic crime labs, as the fentanyl epidemic continues. With the continued increase in illicit drug use, crime labs are not able to keep up with the flooding of new fentanyl analogs being developed, resulting in new analogs slipping past the crime labs’ authority. This research is to start to develop a database of commonly found fentanyl analogs in New York State. Gas Chromatography-Mass Spectrometry (GC-MS) is a widely used method for the detection and identification of illicit drugs in forensic crime labs. A database that …

Synergetic Effect Of Cellulose And Chitosan Polymers In Cancer Treatment, Grace Peterson

Graduate Theses, Dissertations, and Problem Reports (ETD)

This research explores the development of a biocompatible, natural drug delivery system designed for targeted cancer therapy. Lung cancer cells are used in these particular tests, but further research indicates treatment could be used for various cancer types. Traditional cancer treatments like chemotherapy are often limited by poor selectivity for tumor cells, causing significant damage to healthy tissues. The study proposes a dual-layered delivery system, utilizing Carboxymethyl Cellulose (CMC) as the core material and a charge-reversible chitosan shell to encapsulate and target cancer drugs. CMC, with its water solubility and ability to form stable gels, serves as a stable drug …

Integrating Phytochemicals And In Silico Methods For Modern Drug Discovery: A Comprehensive Review, Olorunfemi Oyewole Babalola, Kpomah Bridget, Godspower Oyubu, Sakariyau Adio Waheed, Samuel Ayomikun Ajiboye, Aderonke Elizabeth Fakayode, Adeleye Adegboyega Edema, Udensi Great Chukwuma, Rachael Taiwo Tiamiyu, Adebisola Joy Fakayode, Hameedah Oluwatoyin Adebimpe, Kosisochukwu Dematus Onyeagba, Comfort Oluseun Fakunle, Paul Olamide Ottu, Sonia Gabriel

Chemistry & Biochemistry Faculty Publications

Phytochemicals have long played a central role in drug discovery due to their structural diversity and broad biological activity. This review explores the progression of natural product-based drug development, highlighting how traditional knowledge and modern scientific tools are increasingly being combined. Medicinal plants identified through ethnopharmacological practices continue to guide the search for bioactive compounds, while advancements in screening techniques and structural analysis have improved the isolation and characterization of these substances. The review discusses the wide range of pharmacological actions found in plant-derived compounds. Their mechanisms of action and potential for synergistic effects are examined in detail. The application …

Synthesis And Evaluation Of Anti-Hiv Activity Of Fatty Acyl Conjugates Of Tenofovir Alefanamide, Muhammad Sajid, Naglaa Salem El-Sayed, Louise A. Ouattara, Amita Verma, Gustavo F. Doncel, Keykavous Parang, M. Iqbal Choudhary, Hina Siddiqui

CONRAD Publications

The activity of nucleoside and nucleotide analogs as antiviral agents requires phosphorylation by intracellular enzymes. Phosphate-substituted analogs have low bioavailability due to the presence of ionizable negatively-charged groups. To circumvent this limitation, several prodrug approaches have been proposed and developed. Herein, we hypothesized that the conjugation of anti-HIV fatty acids with the nucleotide tenofovir alafenamide (TAF) (1) could improve the anti-HIV activity of the nucleotide. Several fatty acyl amide conjugates of TAF were synthesized and evaluated in comparative studies with TAF. The synthesized compounds were evaluated as racemic mixtures for anti-HIV activity in vitro in a single-round HIV-1 infection assay …

Amorphous Quininium Aspirinate From Neat Mechanochemistry: Diffracting Nanocrystalline Domains And Quick Recrystallization Upon Exposure To Solvent Vapours, Silvina Pagola, James Howard, Johannes Merkelbach, Danny Stam

Chemistry & Biochemistry Faculty Publications

Quininium aspirinate is mechanochemically prepared as a crystalline solid by liquid-assisted grinding, or as an amorphous phase (as determined by X-ray powder diffraction), by neat grinding or neat ball milling. Our previous work demonstrated using FT-IR spectroscopy that a mechanochemical reaction had occurred in the mechanically treated neat mixtures. Herein is reported that microcrystal electron diffraction (microED) afforded the discovery of two diffracting micron-size particles in the amorphous powder synthesized by manual grinding, among a majority of non-diffracting particles. Remarkably, microED data of one of them led to the known lattice parameters of quininium aspirinate. Furthermore, this so-called 'X-ray amorphous' …

Impact Of Tetrahydrocannabinol (Thc) On Daphnia Magna Heart Rate, Ashley Cosgrave

Williams Honors College, Honors Research Projects

Marijuana (Cannabis) is currently federally illegal within the United States and classified as a Schedule I drug. This leaves a large research gap on the impacts of Tetrahydrocannabinol (THC) use. Daphnia magna are frequently used as a model organism for the human heart and toxicology screenings due to their myogenic heart, similarities in physiological pathways, and sensitivity to toxins. As such, in order to bridge the research gap and uncover potential use of Daphnia magna as a model organism for humans in regard to impact on heart rate, we hypothesized that if Daphnia magna possess CB1 receptors or an equivalent …

On! Original Flavor Oral Nicotine Pouch Characterization: Biorelevant In Vitro Nicotine Release Apparatus Assessment, Jason C. Funderburk, Melissa Morgan, Maria Lasaosa Garcia, Andreas S. L. Mendez, Matthew S. Halquist

Graduate Research Posters

Background: Oral nicotine pouch (ONP) use is rising. The sales of ONPs in 2019 were 126 million units, increasing to 808 million units in 2022. Understanding ONP in vitro release is critical for assessing exposure to ONP products.

Methods: The commercial brand ON! ONPs with nicotine label claims of 2, 4, and 8 mg, were evaluated in vitro for cumulative nicotine release using the bidirectional transmucosal apparatus (BTA) for 90 minutes. Nicotine quantification was performed by HPLC-PDA. For pH determination, ONP samples were prepared in water or artificial saliva (pH 6.8) with measurements for 30 minutes. BTA results were compared …

Association Of Prenatal Exposure To Phthalates And Phenols With Adverse Pregnancy Outcomes, Misa Hayasaka, Diana Aboukhater, George Saade, Tetsuya Kawakita

Department of Obstetrics & Gynecology Faculty Publications

OBJECTIVE:

To evaluate the association between prenatal exposures to phthalates and phenols and adverse pregnancy outcomes, including preterm birth (PTB), small-for-gestational-age (SGA) birth weight, and gestational diabetes mellitus (GDM).

METHODS:

This study analyzed data from the Environmental Influences on Child Health Outcomes consortium, which harmonized longitudinal data on more than 30,000 pregnancies and 57,000 children from 69 cohorts across the United States and Puerto Rico. Pregnancy outcomes included PTB, SGA, and GDM, identified from medical records or self-reports. Generalized estimating equations models with Poisson distribution and robust variance were used to estimate relative risks (RRs) and 95% CIs per interquartile …

Reversible Degradation Of Peptidoglycan By Lytic Transglycosylases, Aaron Devereaux

Theses and Dissertations (Comprehensive)

Antimicrobial resistance continues to be a burden on the global healthcare system with an estimated cost of billions of dollars and millions of deaths each year. Recently, there has been little to no development on new antibiotics to treat bacterial infection, and any that are developed become resisted to within a few years. Both Gram-positive and Gram-negative bacteria contain a mesh-like layer called peptidoglycan (PG) that surrounds their cells providing strength, cell shape, and protection from their environments. This layer is a polymer of N-acetylmuramic acid (MurNAc) and N-acetylglucosamine (GlcNAc) connected via a b-1,4-glycosidic bond, with each strand being cross-linked …

Advancing Continuous Manufacturing: The Role Of Process Analytical Technology In Process Development, Samuel R. Henson

Electronic Theses and Dissertations

The pharmaceutical industry is actively pursuing technologies which improve manufacturing processes with the goal of producing high-quality pharmaceutical products for patients, manifesting in an industry-wide investment in continuous manufacturing (CM). Process analytical technology (PAT) has been recognized for its successful monitoring of critical quality attributes during routine production and is often cited alongside CM due to its ability to make timely, in-line measurements of intermediate materials. Various PAT tools are valuable in process development, particularly as continuous wet granulation processes are developed for use within pharmaceutical manufacturing. This work applied PAT and chemometric modeling during CM process development to enhance …

Activities Of Cellulolytic, Amylolytic, And Secondary Metabolites From Thermophilic Actinomycetes Collected From The Heated Soil Around Cisolok Geyser, Dhian Chitra Ayu Fitria Sari, Fitria Ningsih, Mazytha Kinanti Rachmania, Akira Yokota, Wellyzar Sjamsuridzal

Makara Journal of Science

This study investigated the antimicrobial activity, cellulolytic, and amylolytic abilities of eight thermophilic Actinomy-cetes isolated from the heated soil around the Cisolok geyser, West Java, Indonesia. Cellulolytic and amylolytic abili-ties were screened for on media by adding 1% (w/v) soluble starch and carboxymethylcellulose (CMC), respectively. Antimicrobial activity was screened for using the agar-plug diffusion method by cultivating strains on various growth media. Growth at various temperatures showed that six strains could grow up to 50 °C. Seven out of eight strains showed amylolytic ability at 40 °C and 45 °C, and only four strains did so at 50 °C. Screening …

Acknowledgment Of Reviewers_2024

Journal of Food and Drug Analysis

No abstract provided.

Alanine Supplementation Enhancing Cordycepin Production In Cordyceps Militaris Via Upregulation Of Cns2 And Cns3 Genes Expression Levels, Wenbin Yu, Zeying Zhao, Bin Zeng, Yayi Tu, Bin He

Journal of Food and Drug Analysis

Cordycepin, a key bioactive compound produced by Cordyceps militaris, faces the challenge of low productivity forcommercial use. In this study, alanine supplementation in Cordyceps militaris boosted cordycepin production, peakingat 3 mg/g with 12 g/L concentration. Transcriptome analysis revealed 1711 differentially expressed genes, Pathwayanalysis indicates that protein processing in the endoplasmic reticulum was the most affected pathway. In addition, thetranscriptome showed that adenylosuccinate lyase is essential for the synthesis of cordycepin. The modulation of fourgenes (Cns1-4) points to a regulatory mechanism that could increase cordycepin biosynthesis, offering a strategy to overcome low productivity for commercial applications.

Cinnamic Acid Lowers Blood Pressure And Reversesvascular Endothelial Dysfunction In Rats, Abdul Jabbar Shah, Hafiz Misbah-Ud-Din Qamar, Umme Salma, Taous Khan

Journal of Food and Drug Analysis

Cinnamic acid (CA) possesses important cardiovascular effects such as cardioprotective, antiatherogenic, anti-hyperlipidemic and antioxidant, which predicts its potential role in the treatment of hypertension. The study wasexecuted to investigate the antihypertensive potential of CA in Sprague Dawley (SD) rats followed by evaluation indiverse vascular preparations. Invasive blood pressure monitoring technique was used in normotensive and hyper-tensive rats, under anesthesia. Isolated aortic rings from rat and rabbit, Langendorrf's perfused isolated rabbit heart and guinea-pig right atria were used to probe the underlying mechanisms. The responses were recorded with pressure andforce transducers connected to PowerLab Data Acquisition System. Intravenous administration of CA …

Cost-Effectiveness Analysis Of Pembrolizumab With Chemotherapy For Metastatic Nonsquamous Non-Small Cell Lung Cancer In Taiwan, Wei-Ling Lee, Wan-Hsuan Chou, Wei-Pin Chang, Tsung-Wei Chang, Chun-Nan Kuo, Wei-Chiao Chang

Journal of Food and Drug Analysis

This study was aimed to evaluate the cost-effectiveness of pembrolizumab with chemotherapy (pembrolizumabcombination therapy) and compare it with standard-of-care platinum-based chemotherapy (chemotherapy alone) as a first-line treatment for metastatic nonsquamous NSCLC from the perspective of Taiwan's third-party-payer public health-care system. We used a partitioned survival model with an estimated time horizon of 10 years. The partitionedsurvival model uses KaplaneMeier estimates of progression-free and overall survival from the KEYNOTE-189 clinicaltrial. The quality-adjusted life-year (QALY) values were based on utility values by progression status calculated from theKEYNOTE-189 trial. This study examined costs related to treatment regimens, disease management, second-line therapy,end-of-life care, and …

Fluorescent “On–Off–On” Sensor Based On N, P Co-Doped Carbon Nanoparticles For Specific Detection Of Fe3+ And Ascorbic Acid, Li Li, Ming Zhang, Xiang Liu, Shaoqing Zhu

Journal of Food and Drug Analysis

Ascorbic acid (AA) is used as a food additive for its antibacterial and antioxidant properties. However, excessive intake of AA is harmful to humans. Therefore, the detection of Fe³⁺ and AA is generally recognized to be meaningful. In this work, a one-step hydrothermal tactics is developed for the preparing nitrogen and phosphorus co-doped carbon nanoparticles (N, P-CNPs) by using sucrose and ammonium orthophosphate as raw materials. The N, P-CNPs not only exhibited an enhanced fluorescent efficiency with a relatively high quantum yield up to 28%, but also showed satisfactory stability, water solubility and photostability. The fluorescence of N, P-CNPs …

Aromatic Compounds And Organic Acids Identified From Ganoderma Formosanum Exhibit Synergistic Anti-Melanogenic Effects, Chen-Che Hsieh, Chih-Yao Hou, Hsiao-Yun Lei, Darin Khumsupan, Huey-Jine Chai, Pek-Kui Lim, Cheng-Chih Hsu, Sz-Jie Wu, Kai-Wen Cheng, Yi-Chen Chen, Kuan-Chen Cheng

Journal of Food and Drug Analysis

This study reveals the anti-tyrosinase activity of Ganoderma formosanum extracts, pinpointing compounds including gluconic acid, mesalamine, L-pyroglutamic acid, esculetin, 5-hydroxyindole, and salicylic acid, as effective melanin production inhibitors in melanoma cells and zebrafish embryos. Furthermore, multiple molecular docking simulations provided insights into interactions between the identified compounds and tyrosinase, increasing binding affinity up to -16.36 kcal/mol. The enhanced binding of identified compounds to tyrosinase facilitated synergistic inhibitory effects on melanin production. This study highlights the potential of GFE-EA as a source of natural tyrosinase inhibitors and contributes to understanding the role of active compounds extracted from G. formosanum.