scholarly journals Flow Synthesis of Biologically-Relevant Compound Libraries

Molecules ◽  
2020 ◽  
Vol 25 (4) ◽  
pp. 909
Author(s):  
Pilar María Luque Navarro ◽  
Daniela Lanari
Keyword(s):  
Drug Discovery ◽  
Organic Synthesis ◽  
Flow Chemistry ◽  
Biological Properties ◽  
Present Review ◽  
Biologically Relevant ◽  
Compound Libraries ◽  
Relevant Compound ◽  
Biologically Relevant Molecules ◽  
Flow Techniques

Flow chemistry is one of the most prominent enabling technologies that has greatly shaped the way chemists’ approach organic synthesis. Specifically, in drug discovery, the advantages of flow techniques over batch procedures allow the rapid and efficient assembly of compound libraries to be tested for biological properties. The aim of the present review is to comment on some representative examples from the last five years of literature that highlight how flow procedures are becoming of increasing importance for the synthesis of biologically-relevant molecules.

scholarly journals One-flow synthesis of tetrahydrocannabinol and cannabidiol using homo- and heterogeneous Lewis acids

2021 ◽  
Author(s):  
Victor R. L. J. Bloemendal ◽  
Bram Spierenburg ◽  
Thomas J. Boltje ◽  
Jan C. M. van Hest ◽  
Floris P. J. T. Rutjes
Keyword(s):  
Continuous Flow ◽  
Lewis Acids ◽  
Ring Opening ◽  
Flow System ◽  
Flow Chemistry ◽  
Batch Processes ◽  
Flow Synthesis ◽  
Biologically Relevant ◽  
Continuous Flow Chemistry ◽  
Biologically Relevant Molecules

AbstractContinuous flow chemistry holds great potential for the production of biologically relevant molecules. Herein, we present an approach for the continuous synthesis of cannabidiol and tetrahydrocannabinol in a one-flow system. The designed route consists of a reaction cascade involving Friedel-Crafts alkylation, subsequent ring opening and cyclisation in up to 45% yield. The reactions were successfully performed using both hetero- and homogeneous Lewis acids in continuous flow and provide yields that are similar to comparable batch processes. Graphical abstract

Diselenides and Selenocyanates as Versatile Precursors for the Synthesis of Pharmaceutically Relevant Compounds

2021 ◽  
Vol 18 ◽  
Author(s):  
Marina D. Kostić ◽  
Vera M. Divac
Keyword(s):  
Biological Effects ◽  
Chemical Properties ◽  
Antimicrobial Activities ◽  
Biological Properties ◽  
Organoselenium Compounds ◽  
Selenium Compounds ◽  
Biologically Relevant ◽  
The Past ◽  
Biologically Relevant Molecules ◽  
Unique Chemical

: Organoselenium chemistry has undergone extensive development during the past decades, mostly due to the unique chemical properties of organoselenium compounds that have been widely explored in a number of synthetic transformations, as well as due to the interesting biological properties of these compounds. Diselenides and selenocyanates constitute the promising classes of organoselenium compounds that possess interesting biological effects and that can be used in the preparation of other selenium compounds. The combination of diselenide and selenocyanate moieties with other biologically relevant molecules (such as heterocycles, steroids, etc.) is a way for the development of compounds with promising pharmaceutical potential. Therefore, the aim of this review is to highlight the recent achievements in the use of diselenides or selenocyanates as precursors for the synthesis of pharmaceutically relevant compounds, preferentially compounds with antitumor and antimicrobial activities.

19F-NMR in Target-based Drug Discovery

2019 ◽  
Vol 26 (26) ◽  
pp. 4964-4983 ◽  
Author(s):  
CongBao Kang
Keyword(s):  
Drug Discovery ◽  
Conformational Changes ◽  
Protein Structures ◽  
19F Nmr ◽  
Binding Affinities ◽  
Protein Ligand Interactions ◽  
Compound Libraries ◽  
Ligand Interactions ◽  
Reference Ligand ◽  
Hit Identification

Solution NMR spectroscopy plays important roles in understanding protein structures, dynamics and protein-protein/ligand interactions. In a target-based drug discovery project, NMR can serve an important function in hit identification and lead optimization. Fluorine is a valuable probe for evaluating protein conformational changes and protein-ligand interactions. Accumulated studies demonstrate that 19F-NMR can play important roles in fragment- based drug discovery (FBDD) and probing protein-ligand interactions. This review summarizes the application of 19F-NMR in understanding protein-ligand interactions and drug discovery. Several examples are included to show the roles of 19F-NMR in confirming identified hits/leads in the drug discovery process. In addition to identifying hits from fluorinecontaining compound libraries, 19F-NMR will play an important role in drug discovery by providing a fast and robust way in novel hit identification. This technique can be used for ranking compounds with different binding affinities and is particularly useful for screening competitive compounds when a reference ligand is available.

Current Approaches to Drug Discovery for Chagas Disease: Methodological Advances

2019 ◽  
Vol 22 (8) ◽  
pp. 509-520
Author(s):  
Cauê B. Scarim ◽  
Chung M. Chin
Keyword(s):  
Drug Discovery ◽  
Chagas Disease ◽  
Drug Candidates ◽  
Lead Compounds ◽  
New Drug ◽  
Compound Libraries ◽  
Screening Assays ◽  
Cruzi Infection

Background: In recent years, there has been an improvement in the in vitro and in vivo methodology for the screening of anti-chagasic compounds. Millions of compounds can now have their activity evaluated (in large compound libraries) by means of high throughput in vitro screening assays. Objective: Current approaches to drug discovery for Chagas disease. Method: This review article examines the contribution of these methodological advances in medicinal chemistry in the last four years, focusing on Trypanosoma cruzi infection, obtained from the PubMed, Web of Science, and Scopus databases. Results: Here, we have shown that the promise is increasing each year for more lead compounds for the development of a new drug against Chagas disease. Conclusion: There is increased optimism among those working with the objective to find new drug candidates for optimal treatments against Chagas disease.

Isatin: A Scaffold with Innumerable Biodiversity

2020 ◽  
Vol 20 ◽  
Author(s):  
Priyobrata Nath ◽  
Agnish Mukherjee ◽  
Sougata Mukherjee ◽  
Sabyasachi Banerjee ◽  
Samarpita Das ◽  
...  
Keyword(s):  
Biological Effects ◽  
Scientific Information ◽  
Research Work ◽  
Chemical Properties ◽  
Industrial Applications ◽  
Biologically Relevant ◽  
Extensive Information ◽  
Relevant Compound ◽  
A Minor ◽  
Clinical Conditions

: Isatin is an endogenous and a significant category of fused heterocyclic component, widely been a part of several potential biologically useful synthetics. Since its discovery, tons of research work has been conducted with respect to the synthesis, chemical properties, and biological and industrial applications. It contains indole nucleus having both lactam and keto moiety which while being a part of a molecular framework exerted several biological effects, viz.; antimicrobial, antitubercular, anticonvulsant, anticancer etc. Isatin derivatives are synthetically significant substrates, which can be utilized for the synthesis of huge diversified chemical entities of which few members emerged to be a drug. The reason for this review is to provide extensive information pertaining to the chemistry and its significance in altering several pathological states of isatin and its derivatives. A Structure Activity Relationships study thus developed through a gamut of scientific information indicates the importance of mostly electron withdrawing groups, halogens, nitro, alkoxy and to a minor extent groups with positive inductive effects, such as methyl at position 1, 5, 6 and 7 of isatin in alleviating several clinical conditions. It is also observed from the survey that the presence of two oxo groups at position 2 and 3 sometimes become insignificant as fusion with a heterocycle at those position resulted in a biologically relevant compound.

Organic synthesis with the most abundant transition metal–iron: from rust to multitasking catalysts

2021 ◽  
Author(s):  
Sujoy Rana ◽  
Jyoti Prasad Biswas ◽  
Sabarni Paul ◽  
Aniruddha Paik ◽  
Debabrata Maiti
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Organic Synthesis ◽  
Present Review ◽  
Synthetic Chemistry ◽  
Late Transition Metals ◽  
Iron Chemistry ◽  
Late Transition

The promising aspects of iron in synthetic chemistry are being explored for three-four decades as a green and eco-friendly alternative to late transition metals. This present review unveils these rich iron-chemistry towards different transformations.

SOMOphilic Alkynylation Using Acetylenic Sulfones as Functional Reagents

2021 ◽  
Author(s):  
Danhua Ge ◽  
Xin Wang ◽  
Xue-Qiang Chu
Keyword(s):  
Drug Discovery ◽  
Organic Synthesis ◽  
Materials Science ◽  
Polymer Chemistry ◽  
The Past ◽  
Acetylenic Sulfones

The past decades have witnessed a boom in alkynylation mainly owing to the importance of alkynyl-containing molecules in organic synthesis, drug discovery, polymer chemistry, and materials science. Besides conventional strategies,...

scholarly journals Applications of Radiolabelled Curcumin and Its Derivatives in Medicinal Chemistry

2021 ◽  
Vol 22 (14) ◽  
pp. 7410
Author(s):  
Matteo Mari ◽  
Debora Carrozza ◽  
Erika Ferrari ◽  
Mattia Asti
Keyword(s):  
Nuclear Medicine ◽  
Early Diagnosis ◽  
Clinical Application ◽  
Medicinal Chemistry ◽  
Biological Properties ◽  
Present Review ◽  
Chemical Modifications ◽  
Technetium 99M ◽  
Curcumin Derivatives ◽  
Gallium 68

Curcumin is a natural occurring molecule that has aroused much interest among researchers over the years due to its pleiotropic set of biological properties. In the nuclear medicine field, radiolabelled curcumin and curcumin derivatives have been studied as potential radiotracers for the early diagnosis of Alzheimer’s disease and cancer. In the present review, the synthetic pathways, labelling methods and the preclinical investigations involving these radioactive compounds are treated. The studies entailed chemical modifications for enhancing curcumin stability, as well as its functionalisation for the labelling with several radiohalogens or metal radionuclides (fluorine-18, technetium-99m, gallium-68, etc.). Although some drawbacks have yet to be addressed, and none of the radiolabelled curcuminoids have so far achieved clinical application, the studies performed hitherto provide useful insights and lay the foundation for further developments.

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