Article
Biochemistry & Molecular Biology
H. M. Chandra Mouli, Adithya Vinod, Shikha Kumari, Amit K. Tiwari, M. K. Kathiravan, V. Ravichandiran, Ramalingam Peraman
Summary: In organic chemistry, the use of deuterium exchange as a tool to study chemical reaction mechanisms is well explored. Recently, there has been growing interest in investigating the therapeutic potential of deuterated bioactive molecules. The review provides a conceptual framework on the importance of deuterium atom in drug chemical structure and its biological value in improved physiochemical properties, pharmacokinetics, and toxicity. It also updates recent deuteration methods, challenges in drug development, and deuterium-based imaging in diagnosis.
BIOORGANIC CHEMISTRY
(2023)
Review
Medicine, Research & Experimental
Shivam Chowdhary, Rahul Deka, Kingshuk Panda, Rohit Kumar, Abhishikt David Solomon, Jimli Das, Supriya Kanoujiya, Ashish Kumar Gupta, Somya Sinha, Janne Ruokolainen, Kavindra Kumar Kesari, Piyush Kumar Gupta
Summary: Human viral oncogenesis is a complex phenomenon that contributes significantly to the global cancer burden. Recent findings have uncovered cellular and molecular pathways involved in the development and initiation of malignancy during viral infections. Antiviral treatment has emerged as a strategy to eliminate viral infections and prevent oncogenesis. Exploring the molecular pathogenesis of various oncogenic viruses and developing potent antiviral therapies could enhance the eradication of infected malignant cells while sparing normal ones. This review discusses the advancements in natural and synthetic antivirals and highlights the challenges and future prospects of using antivirals in viral oncogenesis.
MOLECULAR PHARMACEUTICS
(2023)
Article
Biochemistry & Molecular Biology
Mher Matevosyan, Vardan Harutyunyan, Narek Abelyan, Hamlet Khachatryan, Irina Tirosyan, Yeva Gabrielyan, Valter Sahakyan, Smbat Gevorgyan, Vahram Arakelov, Grigor Arakelov, Hovakim Zakaryan
Summary: The influenza virus poses a significant public health challenge due to its high morbidity and mortality rates, as well as the emergence of drug-resistant strains. In this study, a deep reinforcement learning algorithm was used to design new chemical entities that have better binding energy than oseltamivir, an antiviral drug commonly used as a first-line defense. These potential compounds showed promising results in molecular dynamics simulations and demonstrated better binding affinity to certain neuraminidases of the influenza virus than oseltamivir. The findings suggest the possibility of finding novel scaffolds with improved binding and antiviral properties. Further synthesis and testing are recommended for these compounds as potential antiviral candidates.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Krishan Kumar, Karen Woolum
Summary: A novel reagent NH2Cl was developed and successfully used for radioiodine labeling of amino acids, peptides, and proteins with over 70% yield in non-radioactive iodine labeling reactions. The reagent demonstrated selectivity for iodinating the tyrosine residue in biomolecules.
Article
Biochemistry & Molecular Biology
Reem I. Al-Wabli, Iman S. Issa, Maha S. Al-mutairi, Aliyah A. Almomen, Mohamed I. Attia
Summary: Cancer cells often develop drug resistance, leading to chemotherapy failure. Therefore, developing new chemotherapeutic drugs with improved clinical outcomes and low toxicity is a major priority. The synthesized compounds in this study exhibited distinct anti-cancer mechanisms and showed cytotoxicity in three cell lines, with compound 4e having the highest cytotoxicity and potential apoptosis-inducing capabilities.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Review
Biochemistry & Molecular Biology
V. Conti, G. Corbi, V. Manzo, C. Sellitto, F. Iannello, S. Esposito, E. De Bellis, T. Iannaccone, A. Filippelli
Summary: Pharmacogenetics plays a crucial role in predicting the response to pharmacological treatments based on individual genetic background, especially in anticoagulant and antiplatelet therapy. Despite accumulating evidence of its effectiveness, there are still barriers to the implementation of pharmacogenetics in clinical practice.
CURRENT MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Ruby Srivastava
Summary: NCEs such as small molecules and antibody-drug conjugates have strong binding affinity for biological targets, and computational predictions are important for predicting the molecular properties, toxicity, and biological efficacy of drugs. The computational studies of 21 NCEs showed higher stability for drug complexes and good electrophilic behavior. Lipinski's rule indicated that most of the drug complexes are likely to be orally active and have favorable safety profiles.
Review
Biotechnology & Applied Microbiology
Anton Du Preez van Staden, Winschau F. van Zyl, Marla Trindade, Leon M. T. Dicks, Carine Smith
Summary: Lanthipeptides are a class of ribosomally synthesized and posttranslationally modified peptides, with diverse modifications that offer bioactive properties for combatting various diseases. Novel bioactive lanthipeptides can be identified through genome mining tools and accelerated through rapid screening and heterologous expression technologies.
APPLIED AND ENVIRONMENTAL MICROBIOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Jaunetta Hill, Karim E. Shalaby, Syed W. Bihaqi, Bothaina H. Alansi, Benjamin Barlock, Keykavous Parang, Richard Thompson, Khalid Ouararhni, Nasser H. Zawia
Summary: Recent breakthroughs in the field of Alzheimer's disease have led to the development of disease-modifying biologics and diagnostic markers. In this study, tolfenamic acid (TA) was used as a scaffold to develop safer and more potent brain-penetrating analogs that can interfere with DNA binding and modulate the expression of SP1 target genes, reducing the production of AD biomarkers.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Review
Medicine, Research & Experimental
Ali Hazrati, Zahra Mirsanei, Neda Heidari, Kosar Malekpour, Nasim Rahmani-Kukia, Ardeshir Abbasi, Sara Soudi
Summary: Cell therapy has shown promising results in treating diseases, but it comes with limitations such as cytokine storms and tumor formation. Therefore, the use of exosomes as therapeutic candidates has gained much attention due to their small size, biocompatibility, and immunocompatibility. Encapsulated exosomes, loaded with drugs and microRNAs, have been found to have higher therapeutic ability compared to intact exosomes. Analyzing studies on encapsulated exosomes is critical for improving treatment efficiency.
BIOMEDICINE & PHARMACOTHERAPY
(2023)
Review
Chemistry, Medicinal
Zhimin Lv, Hongyu Liu, Huifang Hao, Faiz-Ur Rahman, Yongmin Zhang
Summary: This review summarizes the chemical synthesis methods of oligosaccharides and their application in medicinal chemistry, highlighting their great potential in the field of pharmaceutical chemistry.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Elena Lenci, Lorenzo Baldini, Andrea Trabocchi
Summary: DNA-encoded libraries (DEL) are a powerful technology for drug discovery, but their exploration of chemical space is limited by DNA-compatible chemistry and synthetic methodologies, while the application of Diversity-Oriented Synthesis can significantly broaden this space.
BIOORGANIC & MEDICINAL CHEMISTRY
(2021)
Review
Chemistry, Medicinal
Aman Mahajan, Princy Gupta
Summary: Viruses replicate only inside living cells of a host and cause viral infection. The urgent task now is to control the spread of the COVID-19 pandemic caused by the novel coronavirus. Global efforts are needed to prevent the further transmission of the virus for the safety of all people.
MINI-REVIEWS IN MEDICINAL CHEMISTRY
(2021)
Review
Biochemistry & Molecular Biology
Prerna Sharma, Rahul V. Joshi, Robert Pritchard, Kevin Xu, Maya A. Eicher
Summary: Antibody engineering is a rapidly developing field that has a wide impact on healthcare and diagnostics. This review summarizes the clinical relevance and potential risks of therapeutic antibodies, and discusses future applications and perspectives in antibody research.
Review
Chemistry, Organic
Elena Lenci, Andrea Trabocchi
Summary: In the past two decades, Diversity-Oriented Synthesis (DOS) has undergone significant changes, shifting from a focus on structural diversity to incorporating new approaches to enhance the biological outcomes of molecules. Chemoinformatics has played a crucial role in identifying unexplored biologically-relevant regions of chemical space and visualizing and predicting the structural diversity and complexity of compounds within DOS libraries.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Review
Biochemistry & Molecular Biology
Hong X. Ding, Carolyn A. Leverett, Robert E. Kyne, Kevin K. -C. Liu, Sarah J. Fink, Andrew C. Flick, Christopher J. O'Donnell
BIOORGANIC & MEDICINAL CHEMISTRY
(2015)
Article
Chemistry, Medicinal
Andrew C. Flick, Hong X. Ding, Carolyn A. Leverett, Robert E. Kyne, Kevin K. -C. Liu, Sarah J. Fink, Christopher J. O'Donnell
JOURNAL OF MEDICINAL CHEMISTRY
(2017)
Article
Chemistry, Medicinal
Andrew C. Flick, Hong X. Ding, Carolyn A. Leverett, Sarah J. Fink, Christopher J. O'Donnell
JOURNAL OF MEDICINAL CHEMISTRY
(2018)
Article
Chemistry, Medicinal
Jose H. Pereira, Chutima Petchprayoon, Alexander C. Hoepker, Nigel W. Moriarty, Sarah J. Fink, Giuseppe Cecere, Ian Paterson, Paul D. Adams, Gerard Marriott
Article
Chemistry, Organic
Thomas E. Smith, Sarah J. Fink, Zebulon G. Levine, Kerani A. McClelland, Adrian A. Zackheim, Mary E. Daub
Article
Chemistry, Organic
Ian Paterson, Sarah J. Fink, Lydia Y. W. Lee, Stephen J. Atkinson, Simon B. Blakey
Article
Chemistry, Medicinal
Andrew C. Flick, Carolyn A. Leverett, Hong X. Ding, Emma McInturff, Sarah J. Fink, Christopher J. Helal, Christopher J. O'Donnell
JOURNAL OF MEDICINAL CHEMISTRY
(2019)
Article
Chemistry, Medicinal
Andrew C. Flick, Carolyn A. Leverett, Hong X. Ding, Emma McInturff, Sarah J. Fink, Christopher J. Helal, Jacob C. DeForest, Peter D. Morse, Subham Mahapatra, Christopher J. O'Donnell
JOURNAL OF MEDICINAL CHEMISTRY
(2020)
Article
Chemistry, Medicinal
Andrew C. Flick, Carolyn A. Leverett, Hong X. Ding, Emma McInturff, Sarah J. Fink, Subham Mahapatra, Daniel W. Carney, Erick A. Lindsey, Jacob C. DeForest, Scott P. France, Simon Berritt, Simone Bigi-Botterill, Tony S. Gibson, Yiyang Liu, Christopher J. O'Donnell
Summary: New drugs introduced to the market are privileged structures with affinities for biological targets implicated in human diseases, providing insights into molecular recognition and guiding future drug design.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Andrew C. Flick, Carolyn A. Leverett, Hong X. Ding, Emma L. McInturff, Sarah J. Fink, Subham Mahapatra, Daniel W. Carney, Erick A. Lindsey, Jacob C. DeForest, Scott P. France, Simon Berritt, Simone Bigi-Botterill, Tony S. Gibson, Rebecca B. Watson, Yiyang Liu, Christopher J. O'Donnell
Summary: This Review presents the most likely process-scale synthetic approaches to 44 new chemical entities approved for the first time anywhere in the world during 2020. These privileged structures with affinities for biological targets implicated in human diseases and conditions, particularly small molecules and antibody-drug conjugates (ADCs), provide insight into molecular recognition and serve as leads for future drug design.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Emma L. McInturff, Scott P. France, Carolyn A. Leverett, Andrew C. Flick, Erick A. Lindsey, Simon Berritt, Daniel W. Carney, Jacob C. DeForest, Hong X. Ding, Sarah J. Fink, Tony S. Gibson, Kaitlyn Gray, Aran K. Hubbell, Amber M. Johnson, Yiyang Liu, Subham Mahapatra, Indrawan J. McAlpine, Rebecca B. Watson, Christopher J. O'Donnell
Summary: New drugs introduced to the market each year provide valuable insights into molecular recognition and potential leads for future medicines. This annual review focuses on the process-scale synthetic approaches to 35 newly approved compounds worldwide in 2021, including small molecules and antibody-drug conjugates.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)