Digital Commons Network^™

Cryogelation Reactions And Cryogels: Principles And Challenges, Oğuz Okay

Turkish Journal of Chemistry

Cryogelation is a powerful technique for producing macroporous hydrogels called cryogels. Although cryogelation reactions and cryogels were discovered more than 70 years ago, they attracted significant interest only in the last 20 years mainly due to their extraordinary properties compared to the classical hydrogels such as a high toughness, almost complete squeezability, a mechanically stable porous structure with honeycomb arrangement, poroelasticity, and fast responsivity against external stimuli. In this mini review, general properties of cryogelation systems including the cryoconcentration phenomenon responsible for the unique properties of the cryogels are discussed. The squeezability and poroelasticity of cryogels comparable to those seen …

Arsenic Speciation By Using Emerging Sample Preparation Techniques: A Review, Muhammad Saqaf Jagirani, Mustafa Soylak

Turkish Journal of Chemistry

Arsenic is a hazardous element that causes environmental pollution. Due to its toxicological effects, it is crucial to quantify and minimize the hazardous impact on the ecology. Despite the significant advances in analytical techniques, sample preparation is still crucial for determining target analytes in complex matrices. Several factors affect the direct analysis, such as trace-level analysis, advanced regulatory requirements, complexity of sample matrices, and incompatible with analytical instrumentation. Along with the development in the sample preparation process, microextraction methods play an essential role in the sample preparation process. Microextraction techniques (METs) are the newest green approach that replaces traditional sample …

Design, Synthesis And Post Functionalization Of Bodipy Dyes For Use As Chemo Sensors., Caroline Njeri Ndung'u

LSU Doctoral Dissertations

An overview of BODIPYs history, basic structure, electronic properties is described. Additionally, their attribute of tenability in their photophysical and electronic properties has been discussed. Lastly, their application in the biomedical field as bio imaging, labeling, chemo sensors and photosensitizers are also discussed. In Chapter 2, a library of meso- Pyridyl and meso pyridinium BODIPY dyes was designed, synthesis and comparison on their photophysical, electrochemical and cytotoxic studies done. From this study chlorine atoms at the 2, 6 positions was shown to enhance their relative fluorescence quantum yields in different organic solvents and water. In chapter 3, 8(meso)-pyridyl-BODIPYs with a …

Heterocyclic Molecules With Esipt Emission: Synthetic Approaches, Molecular Diversities, And Application Strategies, Nuretti̇n Mengeş

Turkish Journal of Chemistry

Excited-state intramolecular proton transfer (ESIPT) is one of the most essential emission processes in most circumstances because of its dual emission band in most cases and its high Stokes shifts. These distinguishing properties make ESIPT-based probes more suitable for a variety of applications, including analyte sensors, solid-state sensing mechanisms, optical technologies, and biomarkers for endogenous or exogenous compounds in various settings. As a result, researchers around the world are working on ESIPT emissions and developing different scaffolds for various applications or industry demands. This field of study is rapidly expanding and there is a need for an up-to-date review of …

Comparative Study Of Electrochemical-Based Sensors And Immunosensors In Terms Of Advantageous Features For Detection Of Cancer Biomarkers, Göksu Özçeli̇kay, Ahmet Çeti̇nkaya, Sari̇ye İrem Kaya, Si̇bel Ayşil Özkan

Turkish Journal of Chemistry

Cancer, becoming increasingly common globally, has a high mortality rate. Despite the much research on diagnosis and treatment methods, the benefits of technological developments, and newly developed sensor devices, cancer is still one of the leading causes of death worldwide. Early detection using powerful and noninvasive tools could be a future focus for prognosis and treatment follow-up. Therefore, electrochemical biosensors can be a strong choice for the detection of cancer biomarkers (such as alpha-fetoprotein, cytochrome c, prostate-specific antigen, myoglobin, carcinoembryonic antigen, alpha-fetoprotein, a cancer antigen, epidermal growth factor receptor, vascular endothelial growth factor, circulating tumor cell, and breast cancer antigen …

Fluid-Based Wearable Sensors: A Turning Point In Personalized Healthcare, Berfi̇n Vural, İnci̇ Uludağ, Bahar İnce, Canan Özyurt, Funda Öztürk, Mustafa Kemal Sezgi̇ntürk

Turkish Journal of Chemistry

Nowadays, it has become very popular to develop wearable devices that can monitor biomarkers to analyze the health status of the human body more comprehensively and accurately. Wearable sensors, specially designed for home care services, show great promise with their ease of use, especially during pandemic periods. Scientists have conducted many innovative studies on new wearable sensors that can noninvasively and simultaneously monitor biochemical indicators in body fluids for disease prediction, diagnosis, and management. Using noninvasive electrochemical sensors, biomarkers can be detected in tears, saliva, perspiration, and skin interstitial fluid (ISF). In this review, biofluids used for noninvasive wearable sensor …

Metal-Organic Frameworks As Photocatalysts In Energetic And Environmental Applications, Eli̇f Özcan, Zeli̇ha Mermer, Yunus Zorlu

Turkish Journal of Chemistry

Metal-organic frameworks (MOFs) are an exciting new class of porous materials with great potential for photocatalytic applications in the environmental and energy sectors. MOFs provide significant advantages over more traditional materials when used as photocatalysts due to their high surface area, adaptable topologies, and functional ability. In this article, we summarize current developments in the use of MOFs as photocatalysts for a variety of applications, such as CO2 reduction, water splitting, pollutant degradation, and hydrogen production. We discuss the fundamental properties of MOFs that make them ideal for photocatalytic applications, as well as strategies for improving their performance. The opportunities …

Determination Of Ketamine Using Melamine-Modified Gold Nanoparticles, Güler Güneş, Zi̇ya Can, Ayşem Arda, Mustafa Reşat Apak

Turkish Journal of Chemistry

Ketamine is used in medicine because of its anaesthetic and antidepressant effects at low doses. Unfortunately, due to its narcotic effect when used at high doses, its abuse among young people is increasing. It is also one of the most common drugs used in rape. Therefore, there is a need for fast and inexpensive tests that can be performed on-site. With the advancement of nanotechnology, nanoparticle-based approaches have found their place in selective analyses as in many fields. In the developed method, firstly gold nanoparticles were modified with melamine (AuNPs@Mel). Under optimized conditions, hydrogen bonds formed between ketamine and AuNPs@Mel …

Comparatively Sonophotochemical And Photochemical Studies Of Phthalocyanines With Cationic Substituents On Nonperipheral Positions, Mukaddes Özçeşmeci̇, Ceren Can Karanlik, Ali̇ Erdoğmuş, Esi̇n Hamuryudan

Turkish Journal of Chemistry

The term sonophotodynamic therapy (SPDT) refers to a combination of sonodynamic therapy (SDT) and photodynamic therapy (PDT), in which the efficacy of the treatment is boosted by utilizing the proper amount of a sensitizer that is responsive to both light and ultrasound. Although it has been proven in photophysicochemical studies that SPDT enhances singlet oxygen production, related studies in the literature are very limited. Considering this situation, this study aims to investigate the efficacy of synthesized phthalocyanines in terms of PDT and SPDT. The singlet oxygen quantum values calculated as 0.13 for 5, 0.44 for 6, and 0.61 for 7 …

Benzimidazol-2-Ylidene Ruthenium Complexes For C-N Bond Formation Through Alcohol Dehydrogenation, Zahid Nawaz, Nevi̇n Gürbüz, Muhammed Naveed Zafar, Namik Özdemi̇r, Beki̇r Çeti̇nkaya, İsmai̇l Özdemi̇r

Turkish Journal of Chemistry

A low temperature hydrogen borrowing approach to generate secondary amines using benzimidazole-based N-heterocyclic carbene (BNHC) ruthenium complexes is reported. A series of the piano-stool complexes of the type [(η⁶ -p-cymene)(BNHC)RuCl2 ] (1a-g) were synthesized via one-pot reaction of the NHC salt precursor, Ag2 O, and [RuCl2 (p-cymene)]2 and characterized using conventional spectroscopic techniques. The geometry of two precursors, [(η⁶ -p-cymene)(Me4BnMe2 BNHCCH2OxMe)RuCl2 ] (1f) and [(η⁶ -p-cymene)(Me5BnMe2 BNHCCH2OxMe)RuCl2 ] (1g), was studied by single crystal X-ray diffraction. These catalysts were found to dehydrogenate alcohols efficiently at temperatures as low as 50 °C to allow Schiff-base condensation and subsequent …

Synthesis Of Alnustone-Like Diarylpentanoids Via A 4 + 1 Strategy And Assessment Of Their Potential Anticancer Activity, Nesli̇han Çelebi̇oğlu, Özlem Özdemi̇r Tozlu, Hasan Türkez, Hasan Seçen

Turkish Journal of Chemistry

Twelve compounds with a 1,5-diaryl-1-penten-3-one structure were synthesized and their cytotoxic activities were evaluated. The 1,5-diaryl-1-penten-3-one compounds were obtained via in situ enaminations of 4-phenyl-2-butanone and 4-(4-hydroxyphenyl)-2- butanone in the presence of pyrrolidine-AcOH, followed by condensation with six different benzaldehydes. The synthesized compounds were tested for their cytotoxic activity against human glioblastoma (U87-MG), breast (MCF-7), and prostate (PC-3) cancer cell lines. Some of the novel compounds exhibited remarkable cytotoxic action, especially against MCF-7 cancer cells.

Synthesis, Characterization, And Photophysical And Fluorescence Sensor Behaviors Of A New Water-Soluble Double-Bridged Naphthalene Diimide Appended Cyclotriphosphazene, Süreyya Oğuz Tümay, Serkan Yeşi̇lot

Turkish Journal of Chemistry

A new water-soluble template of double-bridged naphthalene diimide appended cyclotriphosphazene was prepared, and its photophysical and sensor behaviors were evaluated. The characterization of novel double-bridged naphthalene diimide appended cyclotriphosphazene (6) was carried out by NMR (1 H, 13C, 31P) and mass spectroscopies. The photophysical behaviors of compound 6 were evaluated by UV-Vis absorption and fluorescence spectroscopies in various solvent systems and different concentrations. As an application for usability of the obtained water-soluble template in different applications, the fluorescence sensor property of compound 6 was investigated in the presence of many different competing species (organic acids, saccharides, nitroaromatic compounds, anions, and …

Synthesis Of New Imine-/Amine-Bearing Imidazo[1,2-A]Pyrimidine Derivatives And Screening Of Their Cytotoxic Activity, Tuğba Güngör, Hazal Nazlican Atalay, Yakup Berkay Yilmaz, Tuğba Tümer, Mehmet Ay

Turkish Journal of Chemistry

Imidazo[1,2-a]pyrimidine derivatives bearing imine groups (3a-e) were successfully synthesized in moderate to good yields using microwave-assisted heating. Corresponding amine derivatives (4a-e) were also obtained by the reduction reaction of the imine derivatives (3a-e). All synthesized products were characterized by FT-IR, 1 H NMR, 13C NMR, and LC-MS spectroscopic techniques. In silico ADMET, Lipinski, and drug-likeness studies of the compounds were conducted and all were found to be suitable drug candidates. The cytotoxicity of the potential drug molecules was screened against the breast cancer cell lines MCF-7 and MDA-MB-231 and the healthy model HUVEC by the sulforhodamine B method. According to …

Phytochemical Analysis And Molecular Docking Studies Of Two Endemic Varieties Of Salvia Sericeotomentosa, Gülbahar Özge Ali̇m Toraman, Halil Şenol, Seçi̇l Yazici Tütüni̇ş, Nur Tan, Gülaçti Topçu

Turkish Journal of Chemistry

The use of medicinal plants for treating various diseases dates back thousands of years and has been a part of many cultures around the world. Various parts of plants, including roots, leaves, and flowers, and their extracts have been used to develop remedies to cure different ailments like fever, pain, inflammation, infections, among others. In this research, the aerial parts of both Salvia varieties were extracted with ethanol and water to obtain infusion and decoction, separately. S. sericeotomentosa var. hatayica Celep & Doğan (SH) and Salvia sericeotomentosa Rech. f. var. sericeotomentosa (ST) plants were chemically analyzed for polar compounds using …

Water-Soluble Phthalocyanine Photosensitizers For Photodynamic Therapy, İpek Ömeroğlu, Mahmut Durmuş

Turkish Journal of Chemistry

Photodynamic therapy (PDT) is based on a photochemical reaction that is started when a photosensitizing process is activated by the light and results in the death of tumor cells. Solubility is crucial in PDT applications to investigate the physical and chemical characteristics of phthalocyanines, but, unfortunately, most phthalocyanines show limited solubility especially in water. To increase the solubility of phthalocyanines in polar solvents and water, ionic groups such as -SO3 - , -NR3 +, -COO- , and nonionic groups such as poly-oxy chains are frequently added to the peripheral or nonperipheral positions of the phthalocyanine framework. Since water-solubility and NIR-absorbing …

Amplifying The Dielectric Constant Of Shellac By Incorporating Natural Clays For Organic Field Effect Transistors (Ofets), Sunwoo Kim, Cigdem Yumusak, Cristian-Vlad Irimia, Mateusz Bednorz, Esma Yenel, Mahmut Kuş, Ni̇yazi̇ Serdar Sariçi̇ftçi̇, Bong Sup Shim, Mihai Irimia

Turkish Journal of Chemistry

We demonstrate in this work the practical use of uniform mixtures of a bioresin shellac and four natural clays, i.e. montmorillonite, sepiolite, halloysite and vermiculate as dielectrics in organic field effect transistors (OFETs). We present a thorough characterization of their processability and film forming characteristic, surface characterization, elaborate dielectric investigation and the fabrication of field effect transistors with two classic organic semiconductors, i.e. pentacene and fullerene C60. We show that low operating voltage of approximately 4 V is possible for all the OFETs using several combinations of clays and shellac. The capacitance measurements show an improvement of the dielectric constant …

Innovative Polymer Engineering For The Investigation Of Electrochemical Properties And Biosensing Ability, Sila Can Osmanoğullari, Sani̇ye Söylemez, Oğuzhan Karakurt, Şeri̇fe Özdemi̇r Hacioğlu, Ali̇ Çirpan, Levent Kami̇l Toppare

Turkish Journal of Chemistry

Subtle engineering for the generation of a biosensor from a conjugated polymer with the inclusion of fluorine-substituted benzothiadiazole and indole moieties is reported. The engineering includes the electrochemical copolymerization of the indole-6-carboxylic acid (M1) and 5-fluoro-4,7-bis(4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole (M2) on the indium tin oxide and graphite electrode surfaces for the investigation of both their electrochemical properties and biosensing abilities with their copolymer counterparts. The intermediates and final conjugated polymers, Poly(M1) [P-In6C], Poly(M2) [P-FBTz], and copoly(M1 and M2) [P-In6CFBTz], were entirely characterized by 1 H NMR, 13C NMR, CV, UV-Vis-NIR spectrophotometry, and SEM techniques. HOMO energy levels of electrochemically obtained polymers were calculated …

Developing New Strategy Toward Ruthenium And Gold Redox Catalysis, Chenhuan Wang

USF Tampa Graduate Theses and Dissertations

This dissertation mainly contains three parts: 1) The discovery of triazole-modified Ru carbene catalysts for alkene metathesis and dynamic covalent chemistry; 2) The study of ligand assisted gold oxidative addition toward aryl iodide to achieve the alkene difunctionalization; 3) Gold redox catalysis via chiral P,N-chelating ligands. In the first part, the 1,2,3-triazole coordinated ruthenium carbene complexes (TA-Ru) were reported for the first time as a new class of modified Grubbs catalyst to achieve challenging olefin metathesis at higher temperatures without catalyst decomposition. With this new TA-Ru catalyst, cross-metathesis (CM), ring-closing metathesis (RCM) and dynamic covalent chemistry (DCvC) were achieved. The …

Affordances And Limitations Of Molecular Representations In General And Organic Chemistry, Ayesha Farheen

USF Tampa Graduate Theses and Dissertations

Molecular representations that show chemical bonding are ubiquitous in general and organic chemistry. These help in communicating chemistry concepts that are fundamental to understanding how and why molecules interact. The goal of this dissertation work is to offer an evidence-based report on the affordances and limitations of the variety of molecular representations by chemistry topic. The variety of representations investigated are chemical formula, Lewis dot structure, line-angle diagram, ball and stick, space filling, and electrostatic potential maps. Five studies were conducted with general and organic chemistry students and three key findings emerged. First, affordances and limitations of molecular representations are …

A Computational Study On The Impact Of Anchoring Groups On The Optical And Electronic Properties Of Triphenylamine-Based Dyes For Dye-Sensitized Solar Cell Applications, Geradius Deogratias, Grace Kinunda

Tanzania Journal of Science

Anchoring groups are crucial for enhancing the performance of dye-sensitized solar cells (DSSCs). For instance, cyanoacrylic acid serves as the primary anchoring group in DSSC due to its crucial elements required for effective electron transport. However, it suffers from degradation. To address this limitation, this study proposes alternative cyano-based anchoring groups for sensitizers. Density functional theory (DFT) and time-dependent DFT were used to investigate the optical and electronic properties of the dyes. The studied dyes (excluding the dye containing OH group) displayed three absorption bands within the visible and NIR regions. Low-energy peaks ranged from 498 to 576 nm, corresponding …

Phytochemical Constituents Of Cissus Oliveri Growing In Pwani Region, Tanzania, Fadhili S. Estomini, Stephen I. Nnungu, Amelia S. Buriyo

Tanzania Journal of Science

Cissus oliveri (Engl.) Gilg ex Engl. is among the plant species of the family Vitaceae widely used in traditional medicine for management of different ailments. This study aimed at assessing the phytochemicals of C. oliveri parts in order to provide scientific validation for its use as a therapeutic agent. Qualitative analysis of water and ethanolic extracts was conducted by using standard methods and the results revealed that all the parts possess alkaloids, flavonoids, phenols and tannins. Similarly, glycosides and saponins were only present in leaf and root. Quantitative analysis performed by gravimetric and spectrophotometric methods showed that all parts contain …

Modification Of Chitosan Using Glycidyl Methacrylate-Grafted Cellulose (Gmagcell/ Chi) For Methylene Blue Adsorption, Haya Fathana, Rahmi Rahmi, Muhammad Adlim, Surya Lubis

Karbala International Journal of Modern Science

In this study, a glycidyl methacrylate-grafted cellulose/chitosan (GMA-g-Cell/Chi) film was successfully prepared and characterized. GMA-g-Cell was obtained from the grafting process of cellulose derived from sugarcane bagasse using glycidyl methacrylate (GMA). The cellulose grafting process was obtained using 20% GMA for 4 hours at 60oC. The percentage of grafting (PG) and grafting efficiency (GE) values for these parameters were 516 and 60.28%, respectively. Chitosan was modified with GMA-g-Cell and has higher adsorption capacity and tensile strength than chitosan. The adsorption kinetics tend to follow the pseudo-first-order adsorption kinetics model, with Qe and k1 being 7 mg/g and 0.067 g/mg. minute. …

Discovery Of Small-Molecule Inhibitors For The Β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction., Zilu Li

USF Tampa Graduate Theses and Dissertations

The Wnt/β-catenin signaling pathway is associated with activating genes that support cell proliferation, differentiation, and survival. Excessive activation of Wnt/β‐catenin signaling has been associated with development of several types of cancer and activation of stem-like cancer cells. Direct targeting of β‐catenin, the central hub in this signaling pathway, is a promising strategy to suppress the hyperactive β‐catenin signaling but has proven to be highlychallenging. Substantial efforts have been made to discover compounds that bind with β‐catenin, block β‐catenin mediated protein–protein interactions (PPIs) and suppress β‐catenin signaling. β‐catenin/BCL9 PPI has a smaller contacting area (1450 Å2) and a moderate binding affinity …

Computational Investigations Of Polymer Electrolytes In Aqueous Solutions, Hishara Keshani Gallage Dona

LSU Doctoral Dissertations

Polymer electrolyte membranes, an intriguing category of soft materials, are characterized by polymer backbones tethered with negatively or positively charged functional groups, finding applications from biological macromolecules to electrochemical separations in fuel cells. This dissertation focuses on computational investigations of polymer electrolytes in aqueous solutions using polypeptoids and ion exchange membranes. Polypeptoids, highly tailorable peptidomimetic polymers lacking backbone hydrogen bonding or chirality, were used as model systems. Micelles formed from these polypeptoid polymers exhibited electrostatic repulsion, which competes with charge-sodium interactions, adding complexity to predicting micelle shapes. This research refined the design strategy, enhancing micelle shape and structure through precise …

Chemical Analysis Of Metabolites From Mangrove Endophytic Fungus, Sefat E Munjerin

USF Tampa Graduate Theses and Dissertations

Natural products hold a significant place in drug discovery for their abundant and unique secondary metabolites. These secondary metabolites which encompass a range of organic compounds such as alkaloids, phenols, peptides, flavonoids, polyketides, and terpenoids, can easily be exploited for drug development. Endophytic fungi, residing harmoniously with its host, have emerged as generous producers of bioactive secondary metabolites, displaying efficacy against a wide array of human pathogens, including the challenging ESKAPE pathogens.

The research explores endophytic fungi and their prospective for drug discovery and development through the synthesis of distinctive secondary metabolites. Endophytic fungus, HM13-26C-2B, collected from Honeymoon Island, Florida …

The High Pressure Dependence Of X-Ray Induced Decomposition Of Cadmium Oxalate, Adrian F. Lua Sanchez, Petrika Cifligu, Marc Graff, Michael Pravica, Pradip K. Bhowmik, Changyong Park, Egor Evlyukhin

Physics & Astronomy Faculty Research

The high proclivity of x rays to destabilize and distort molecular structures has been previously utilized in the synthesis of novel compounds. Here, we show that x-ray induced decomposition of cadmium oxalate induces chemical and structural transformations only at 0.5 and 1 GPa. Using x-ray diffraction and Raman spectroscopy, the synthesized product is identified as cadmium carbonate with cadmium oxalate remnants, which is stable under ambient conditions. At ambient and >1 GPa pressures, only degradation of the electronic density distribution is observed. The transformation kinetics are examined in terms of Avrami’s model, which demonstrates that despite the necessity of high …

Substrate Specificity In Abc Transporters Using The E. Coli Methionine Import System, John H. Guardado

Featured Student Work

ATP-binding cassette (ABC) transporters use the energy of ATP to move substrates across membranes against a concentration gradient. The role of ABC transporters is crucial in several essential cellular functions and mutations in ABC transporters in humans have been linked to several conditions, including cystic fibrosis, liver disease, and diabetes. Despite their central roles in homeostasis, the mechanism of ABC transporters remains poorly understood. Our research is focused on studying an ABC importer in E. coli, as a model system, to examine the mechanism of substrate specificity and transport. The bacterial methionine import system consists of a membrane-embedded transporter, MetNI, …

Photocurable Ionized Vinylimidazole Liquid Salt For Antibacterial Application, Gina Park, Lisa Ahlberg, Robert Zdor

Celebration of Research and Creative Scholarship

There has been an increasing demand for antibacterial dental composite as it can prevent the biofilm formation and the adhesion of bacteria after the treatment causing the consequential cavities. Previous study explored the antibacterial activity of the heterogenous mixture of heterocyclic polymer and resin. It showed limitations as the mixture did not show antibacterial activity since the mixture could only contain a small amount of heterocyclic polymer within the resin due to its inconvenience of shaping and low miscibility. To overcome this limitation, this research focused on synthesizing heterocyclic antibacterial monomer liquid salt and curing it with UV light to …

Deciphering The Role Of Molecular Interactions On The Interfacial Structure Of Aqueous And Non-Aqueous Interfaces, Dodangodage Ishara Indunil Senadheera, D I. Senadheera

LSU Doctoral Dissertations

The study focused on "Deciphering the role of molecular interactions on the interfacial structure of aqueous and non-aqueous interfaces" holds immense significance in diverse scientific and industrial domains. Our primary objective is to unravel the intricate web of molecular interactions occurring at the boundaries between aqueous and non-aqueous phases. The research presented here spans a wide scope, encompassing applications in microelectromechanical systems in the semiconductor industry, energy-efficient membranes for electrochemical separations, and renewable energy storage systems. Molecular dynamics simulations were conducted in collaboration with experimental studies, specifically atomic force microscopy, to achieve insights at the molecular level.The first project centered …

Investigating The Roles Of Active Site Residues In Mycobacterium Tuberculosis Indole-3-Glycerol Phosphate Synthase, A Potential Target For Antitubercular Agents, David W. Konas, Sarah Cho, Oshane D. Thomas, Maryum M. Bhatti, Katherine Leon Hernandez, Cinthya Moran, Hedda Booter, Thomas Candela, Joseph Lacap, Paige Mcfadden, Savannah Van Den Berg, Alyssa M. Welter, Ashley Peralta, Cheryl A. Janson, Jaclyn Catalano, Nina M. Goodey

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Mycobacterium tuberculosis drug resistance is emerging and new drug targets are needed. Tryptophan biosynthesis is necessary for M. tuberculosis replication and virulence. Indole-3-glycerol phosphate synthase (IGPS) catalyzes a step in M. tuberculosis tryptophan biosynthesis and has been suggested as a potential anti-infective target, but our understanding of this enzyme is limited. To aid in inhibitor design and gain a greater mechanistic picture of this enzyme, there is a need to understand the roles of active site amino acids in ligand binding and catalysis. In this work, we explored the roles of conserved active site amino acids Glu57, Lys59, Lys119, Glu168, …