John Tracey, Ph.D.’s Post

Celebrating Theodor Curtius : A Pioneer in Organic Chemistry 🎉 Born in 1857 in Duisburg, Germany, Theodor Curtius revolutionized organic chemistry with his groundbreaking discoveries : 🔬 - Curtius Rearrangement : Enables the efficient production of primary amines from carboxylic acid derivatives, essential for drug development and material science. 👨🔬 - Discovery of Hydrazine and Hydrazoic Acid : Fundamental compounds in various chemical reactions and industrial processes. ⚗ - First Peptide Synthesis : Paved the way for advancements in biochemistry and peptide drug development. 👨⚕️ Curtius’s work laid the foundation for countless innovations in chemistry and pharmaceuticals, demonstrating the enduring impact of fundamental research. #Chemistry #OrganicChemistry #Hydrazine #CurtiusRearrangement #Peptide #Pharmaceuticals #DrugDevelopment

Piperidine-Synthesis Via Biocatalysis and Radical Cross-Coupling Author: ChemistryViews Modern medicinal chemists aim to create complex molecules with a high proportion of sp3 hybridized carbons because these three-dimensional structures can better interact with complicated biological targets. This focus increases the ability of molecules to specifically bind to their intended targets and improves their physicochemical properties, such as solubility and stability, which are critical for effective drug development. Historically, synthetic methods have produced flat, high sp2 structures using techniques such as electrophilic aromatic substitution followed by Pd-based cross-coupling. Yu Kawamata and Hans Renata, Rice University, Houston, TX, USA, Phil S. Baran, Scripps Research, La Jolla, CA, USA, and colleagues have developed an approach for the rapid, modular, enantioselective construction of piperidine framework by combining scalable biocatalytic methods with radical cross-coupling. This new approach to synthesizing complex, three-dimensional molecules streamlines the production of high-value enantiopure piperidines and simplifying the synthesis of medicinally important molecules. First, the team used scalable enzymatic C–H oxidation to introduce hydroxyl groups into inexpensive 2- and 3-carboxylated piperidines (pictured). The researchers used trans-4-proline hydroxylase (trans-P4H) and an engineered proline-4-hydroxylase (P4H810). There were no examples of enzymes that catalyze the hydroxylation of 3-carboxylated piperidine. The team found ectoine 5-hydroxylase from Sphingopyxis alaskensis (SaEctD). The hydroxylated intermediates then undergo radical cross-coupling reactions, enabling the modular and enantioselective assembly of complex, three-dimensional piperidine derivatives. The radical cross-coupling methods used involved Ni-electrocatalytic decarboxylative cross-coupling, which facilitated the chemoselective coupling of hydroxypiperidines with aryl iodides. For example, N-Boc-3-hydroxy-2-phenylpiperidine was synthesized directly in a more straightforward and diastereoselective manner. Similarly, the synthesis of the natural product swainsonine was simplified through Ni-electrocatalytic decarboxylative alkenylation, bypassing several lengthy and labor-intensive steps while avoiding the need for expensive transition metals and cryogenic conditions. Biocatalytic C–H Oxidation Meets Radical Cross-Coupling: Simplifying Complex Piperidine Synthesis, Jiayan He, Kenta Yokoi, Breanna Wixted, Benxiang Zhang, Yu Kawamata, Hans Renata, Phil Baran, ChemRxiv 2024. https://lnkd.in/dPZUmdj5

Interested in Functionalization of C-H bonds, then read this insightful review from Prof. Awasthi lab. It covers the remarkable progress made in rhodium(III)-catalyzed C-H activation at the C2, C4, and C7 positions of the indole scaffold from 2017-2022. Indole is an extremely valuable scaffold in organic and medicinal chemistry, serving as a core structure for many natural products and pharmaceutical agents. The ability to selectively activate and functionalize specific C-H bonds on the indole core using rhodium catalysis provides synthetic chemists with a powerful toolkit to rapidly access structurally diverse and complex indole-based compounds. This comprehensive review is an essential read for anyone interested in the latest advances in transition metal-catalyzed C-H activation and its application to the synthesis of indole-containing molecules. Great work by the authors in summarizing this exciting and rapidly evolving field! You can access the full review article here: https://lnkd.in/gfdyXpmN #organicchemistry #pharmceutical #drugdiscovery SYNTHESIS Journal

https://lnkd.in/gski3yr6 Article Title: Phytochemical analysis of medicinal herb (ocimum sanctum) Author(s): Priya Panchal and Nayyar Parvez Journal: International Journal of Nanomaterials, Nanotechnology and Nanomedicine Journal ISSN: 2455-3492 Abstract: It is an aromatic plant. Plants have served human kind as sources of medicinal agents since its earliest beginnings. In fact natural product once served as the source of all drugs. The main chemical constituents of Tulsi are: Oleanolic acid, Ursolic acid, Rosmarinic acid, Eugenol, Carvacrol, Linalool, and β-caryophyllene, have been used extensively for many years in food products, perfumery, and dental and oral products and plant extract continues the numerous searches for more effective drugs of plant origin which are less toxic and available for low socio-economic population in the treatment of diseases caused by pathogenic bacteria. Recent studies suggest that Tulsi may be a COX-2 inhibitor, like many modern painkillers, due to its high concentration of eugenol. The present study was to evaluate the phytochemical screening of aqueous extracts of leaves of Ocimum. Study has been shown that this medicinal herbs can be used as pharmaceutical adjuvants in the formulation of various dosage form. #ocimumsanctum #Aqueousextract #Organoleptic #Phytochemicalscreening #Chemistry #OrganicChemistry #InorganicChemistry #PhysicalChemistry #AnalyticalChemistry #Biochemistry #TheoreticalChemistry #EnvironmentalChemistry #ChemicalEngineering #Peertechz #PeertechzPublications #PolymerChemistry #MedicinalChemistry #IndustrialChemistry #GreenChemistry #ChemicalSynthesis #ChemicalKinetics #Spectroscopy #Electrochemistry #Nanochemistry #SurfaceChemistry #QuantumChemistry #ChemicalBonding #Thermodynamics #ChemicalCatalysis #SupramolecularChemistry #MaterialsChemistry

📣 New Issue Released Advanced Journal of Chemistry, Section A, Vol. 7, Issue 6, Pages 677-909. 🎉 Congratulations to our great contributors! IN THIS ISSUE: ⭐️ Synthesis and Study Antimicrobial/Antioxidant of Some New Derivatives Derived from Drug Levofloxacin https://lnkd.in/dBvEDr-X ⭐️ Historical Background, Literature Review on the Synthesis and Applicability of Azo-Dye Compounds: An Extensive Review https://lnkd.in/dFkjhW99 ⭐️ Removal of Reactive Yellow Dye from Aqueous Solutions Using Hydrogel Nanocomposites Based on Montmorillonite Clay https://lnkd.in/dptQap6k ⭐️ Simultaneous Determination of Chlorhexidine and Triclosan in Some Pharmaceutical Personal Care Products Using Q-Absorbance Ratio Spectra and H-point Standard Addition Methods https://lnkd.in/dB93fe6J ⭐️ Glucopyranoside Derivatives as Antibacterial and Antifungal Agents: QSAR, Molecular Docking and ADMET Analyses https://lnkd.in/dBW_ydHE ⭐️ Advancements in Adsorption Efficiency: Cationic Modified Nanocellulose with Glycidyltrimethylammonium Chloride (GTMAC) for Malathion Removal in Water https://lnkd.in/d3qDDs7s ⭐️ Molecular Docking, Synthesis, Characterization, and Preliminary Cytotoxic Study of Novel 1, 2, 3-Triazole-Linked Metronidazole Derivatives https://lnkd.in/d-J7cqng ⭐️ Spectrophotometric Determination of Silver Ion in Pharmaceutical Materials Using an Organic Reagent https://lnkd.in/dfHeBj24 ⭐️ Extracting Ellagic Acid from the Pomegranate Fruit Peels and its Application as an Inhibitor of Carbon Steel 45 Corrosion in Different Media https://lnkd.in/dGevsGDK ⭐️ Synthesis of New Imides and Study of their Antioxidant Activity https://lnkd.in/d3z7KUwn ⭐️ Synthesis, Characterizations, Biological Activity and Molecular Docking Study of New Azo Schiff -Bases https://lnkd.in/dhv3X8uK ⭐️ Synthesis of New Azo Compounds Based on Tröger's Base Contain Thiadiazole Amine and Study Anti-Corrosive Activity https://lnkd.in/dFKe9ASk ⭐️ DFT-Quantum Chemical and Experimental Studies of Eco-Friendly Approach to Corrosion Inhibition of Stainless Steel 316L in Body Fluid Solution by Dexamethasone Drug https://lnkd.in/daRnkb4t ⭐️ Removal of Anionic and Cationic Dyes from Aqueous Solutions by Biosorption Pineapple Leaf Powder as an Activated Carbon (PLAC) https://lnkd.in/dDNMtMwm ⭐️ Synthesis and Identification of Some New Imidazolidine-4-one, Oxazolidine-4-one and Thiazolidine-4-one Derivatives from Phenidone and Their Antimicrobial and Antioxidant Activities Investigation https://lnkd.in/dmM39cUd

🚀 Revolutionizing Drug Discovery with 'Hook and Slide' Innovation! 💡 Unveiling a paradigm shift in drug discovery! 🔬 UChicago scientists, led by Rui Zhang, have pioneered a groundbreaking "hook and slide" strategy, a novel method transforming how compounds are created within an existing carbon framework. Featured in a recent Science publication, this innovation promises to reshape medicinal chemistry, accelerating drug discovery timelines. 🔍 A Leap Beyond Traditional Methods Historically, organic chemists began drug discovery by constructing a carbon skeleton and modifying its structure. The 'hook and slide' technique diverges from this norm, allowing scientists to insert atoms within an already established carbon framework strategically. Zhang's innovative approach signifies a leap beyond traditional methods. ⏱️ Time-Saving Revolution in Drug Development The 'hook and slide' strategy isn't just about chemistry; it's a time-saving revolution. By enabling fast access to diverse drug candidates, this method has the potential to streamline the drug discovery process significantly. Zhang envisions a future where this innovation becomes a cornerstone in optimizing medicinal chemistry, ultimately saving valuable time in the quest for life-saving drugs. 👩🔬 Cracking the Amides Conundrum Zhang's journey began with the challenging task of homologating amides—an obstacle that had long stumped the scientific community. Amides, found in proteins and polymers, resisted activation due to their inert nature. Undeterred, Zhang sought to overcome this challenge and provide tunable homologation, inserting carbon units of varying lengths. 🔑 'Hook and Slide' Success: A Tunable Breakthrough Zhang's meticulous work culminated in a "hook and slide" success story. Overcoming resistance and difficulty activating the laconically inert amides, Zhang's innovation starts bonds and makes the homologation process tunable. This breakthrough breaks down fixed carbon-carbon bonds and inspires the field to explore inert chemical bond activation further. 🌐 Future Implications and Community Inspiration The publication in Science marks the culmination of Zhang's two-year journey, offering new insights into breaking inert chemical bonds. This success opens new avenues for researchers, demonstrating that even fixed bonds can be manipulated with strategic design and catalyst optimization. Zhang's 'hook and slide' strategy isn't just a technique; it inspires the scientific community to delve deeper into inert chemical bond activation possibilities. #ChemicalInnovation #ScientificResearch #DrugDevelopmentRevolution #DrugDiscovery #ChemistryInnovation #MedicinalChemistry #ScientificBreakthrough https://lnkd.in/gFtwHfwQ

📢 A new Special Issue "Biotechnological Advances in Industrial Enzymes and Green Bioprocessing" is now open for submissions! 🥼 This Special Issue is guest-edited by Dr. Hongchen Zheng, from Chinese Academy of Sciences, China; Dr. Guo-Qiang Chen, from Tsinghua University, China; and Dr. Xianpu Ni, from Shenyang Pharmaceutical University, China 💡 This Special Issue of Bioengineering addresses worldwide advances in biotechnology and bioengineering for promoting the rapid development of industrial enzymes and green bioprocessing in food industry, feed industry, agricultural field, pharmaceuticals industry, traditional light industries and other domains. 🔗 Click the link to access more details about the Special Issue: https://lnkd.in/gc55wfe2. 🕑 The deadline for manuscript submissions is 10 December 2024. 🎉 Welcome to join us as authors and reviewers! 👏 And welcome to follow our LinkedIn account: https://lnkd.in/grPNkBrg. #biotechnology #bioengineering #industrial #enzyme #engineering #protein #bioprocessing #microorganism #synthetic_biology #strain #metabolic_engineering

https://lnkd.in/gb5dW6hW The development of single-step syntheses for related compounds from a common starting material offers significant efficiency gains compared to multiple individual syntheses. However, to realize this approach, it's crucial to have complementary reagent systems available. In this study, a panel of engineered P450BM3 enzymes demonstrates the capability to selectively hydroxylate chemically unactivated C–H bonds in cyclobutylamine derivatives. These oxidations exhibit high regioselectivity and stereoselectivity, yielding valuable bifunctional intermediates that find applications in fragment-based drug discovery. Moreover, the methodology extends to bicyclo[1.1.1]pentyl (BCP) amine derivatives, enabling the first direct enantioselective functionalization of the bridging methylenes. This opens a short and efficient route to chiral BCP bioisosteres, which are important in medicinal chemistry. The combination of substrate, enzyme, and reaction engineering establishes a powerful general platform for small-molecule elaboration and diversification. This approach not only streamlines synthetic pathways but also enhances the accessibility of structurally diverse compounds with potential applications in drug development and chemical biology. Overall, it represents a significant advancement in synthetic methodology, enabling efficient and selective transformations of complex molecules.