Fluorine in medicinal chemistry: Recent therapeutic applications of fluorinated small molecules

2006 ◽  
Vol 127 (8) ◽  
pp. 1013-1029 ◽  
Author(s):  
Kenneth L. Kirk
Keyword(s):  
Small Molecules ◽  
Medicinal Chemistry ◽  
Therapeutic Applications

scholarly journals From Natural Products to New Synthetic Small Molecules: A Journey through the World of Xanthones

Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 431
Author(s):  
Madalena M. M. Pinto ◽  
Andreia Palmeira ◽  
Carla Fernandes ◽  
Diana I. S. P. Resende ◽  
Emília Sousa ◽  
...  
Keyword(s):  
Liquid Chromatography ◽  
Small Molecules ◽  
Medicinal Chemistry ◽  
Enantiomeric Purity ◽  
Pharmacological Activities ◽  
Therapeutic Applications ◽  
Xanthone Derivatives ◽  
Analytical Applications ◽  
Resistance Reversal ◽  
The World

This work reviews the contributions of the corresponding author (M.M.M.P.) and her research group to Medicinal Chemistry concerning the isolation from plant and marine sources of xanthone derivatives as well as their synthesis, biological/pharmacological activities, formulation and analytical applications. Although her group activity has been spread over several chemical families with relevance in Medicinal Chemistry, the main focus of the investigation and research has been in the xanthone family. Xanthone derivatives have a variety of activities with great potential for therapeutic applications due to their versatile framework. The group has contributed with several libraries of xanthones derivatives, with a variety of activities such as antitumor, anticoagulant, antiplatelet, anti-inflammatory, antimalarial, antimicrobial, hepatoprotective, antioxidant, and multidrug resistance reversal effects. Besides therapeutic applications, our group has also developed xanthone derivatives with analytical applications as chiral selectors for liquid chromatography and for maritime application as antifouling agents for marine paints. Chemically, it has been challenging to afford green chemistry methods and achieve enantiomeric purity of chiral derivatives. In this review, the structures of the most significant compounds will be presented.

Medicinal Chemistry Database GDBMedChem

2019 ◽  
Author(s):  
Mahendra Awale ◽  
Finton Sirockin ◽  
Nikolaus Stiefl ◽  
Jean-Louis Reymond
Keyword(s):  
Small Molecules ◽  
Natural Product ◽  
Medicinal Chemistry ◽  
3D Visualization ◽  
Molecular Size ◽  
Similarity Searching ◽  
Complex Molecules ◽  
Synthetic Accessibility ◽  
Simple Chemical ◽  
Reduced Complexity

<div>The generated database GDB17 enumerates 166.4 billion possible molecules up to 17 atoms of C, N, O, S and halogens following simple chemical stability and synthetic feasibility rules, however medicinal chemistry criteria are not taken into account. Here we applied rules inspired by medicinal chemistry to exclude problematic functional groups and complex molecules from GDB17, and sampled the resulting subset evenly across molecular size, stereochemistry and polarity to form GDBMedChem as a compact collection of 10 million small molecules.</div><div><br></div><div>This collection has reduced complexity and better synthetic accessibility than the entire GDB17 but retains higher sp 3 - carbon fraction and natural product likeness scores compared to known drugs. GDBMedChem molecules are more diverse and very different from known molecules in terms of substructures and represent an unprecedented source of diversity for drug design. GDBMedChem is available for 3D-visualization, similarity searching and for download at http://gdb.unibe.ch.</div>

Quinone-Based Drugs: An Important Class of Molecules in Medicinal Chemistry

2020 ◽  
Vol 16 ◽  
Author(s):  
Vitor F. Ferreira ◽  
Alcione S. de Carvalho ◽  
Patricia G. Ferreira ◽  
Carolina G. S. Lima ◽  
Fernando de C. da Silva
Keyword(s):  
Drug Combination ◽  
Medicinal Chemistry ◽  
Pharmaceutical Market ◽  
Important Class ◽  
Therapeutic Applications ◽  
New Applications ◽  
Pharmaceutical Uses

Background: Several quinones are on the pharmaceutical market as drugs for the treatment of several diseases. Objective: The aim of this review was to provide an overview on the quinones that have become drugs for several therapeutic applications. Method: We have comprehensively and critically discussed all the information available in the literature about quinonebased drugs. Results: In this review, the various aspects of the chemistry and biochemistry of these drugs are highlighted, including their repositioning, drug combination and their new uses. Conclusion: The number of studies related to quinone drugs for different pharmaceutical uses shows that the interest in new applications still increasing in recent years.

Functional Peptides and Small Molecules in Medicinal Chemistry-Part I

2019 ◽  
Vol 19 (1) ◽  
pp. 2-3
Author(s):  
Guohua Shen ◽  
Yiwen Li ◽  
Linjie Zhao ◽  
Haoxing Wu
Keyword(s):  
Small Molecules ◽  
Medicinal Chemistry ◽  
Functional Peptides

scholarly journals Synthesis of Imidazole-Based Medicinal Molecules Utilizing the van Leusen Imidazole Synthesis

2020 ◽  
Vol 13 (3) ◽  
pp. 37 ◽  
Author(s):  
Xunan Zheng ◽  
Zhengning Ma ◽  
Dawei Zhang
Keyword(s):  
Drug Discovery ◽  
Chemical Synthesis ◽  
Small Molecules ◽  
Medicinal Chemistry ◽  
Biological Activities ◽  
Structural Features ◽  
Pharmaceutical Companies ◽  
Recent Developments ◽  
Van Leusen Reaction

Imidazole and its derivatives are one of the most vital and universal heterocycles in medicinal chemistry. Owing to their special structural features, these compounds exhibit a widespread spectrum of significant pharmacological or biological activities, and are widely researched and applied by pharmaceutical companies for drug discovery. The van Leusen reaction based on tosylmethylisocyanides (TosMICs) is one of the most appropriate strategies to synthetize imidazole-based medicinal molecules, which has been increasingly developed on account of its advantages. In this review, we summarize the recent developments of the chemical synthesis and bioactivity of imidazole-containing medicinal small molecules, utilizing the van Leusen imidazole synthesis from 1977.

Medicinal Chemistry Database GDBMedChem

2019 ◽  
Author(s):  
Mahendra Awale ◽  
Finton Sirockin ◽  
Nikolaus Stiefl ◽  
Jean-Louis Reymond
Keyword(s):  
Small Molecules ◽  
Natural Product ◽  
Medicinal Chemistry ◽  
3D Visualization ◽  
Molecular Size ◽  
Similarity Searching ◽  
Complex Molecules ◽  
Synthetic Accessibility ◽  
Simple Chemical ◽  
Reduced Complexity

<div>The generated database GDB17 enumerates 166.4 billion possible molecules up to 17 atoms of C, N, O, S and halogens following simple chemical stability and synthetic feasibility rules, however medicinal chemistry criteria are not taken into account. Here we applied rules inspired by medicinal chemistry to exclude problematic functional groups and complex molecules from GDB17, and sampled the resulting subset evenly across molecular size, stereochemistry and polarity to form GDBMedChem as a compact collection of 10 million small molecules.</div><div><br></div><div>This collection has reduced complexity and better synthetic accessibility than the entire GDB17 but retains higher sp 3 - carbon fraction and natural product likeness scores compared to known drugs. GDBMedChem molecules are more diverse and very different from known molecules in terms of substructures and represent an unprecedented source of diversity for drug design. GDBMedChem is available for 3D-visualization, similarity searching and for download at http://gdb.unibe.ch.</div>

Chalcones: Retrospective Synthetic Approaches and Mechanistic Aspects of a Privileged Scaffold

2020 ◽  
Vol 26 (24) ◽  
pp. 2843-2858 ◽  
Author(s):  
Emília P.T. Leitão
Keyword(s):  
Pharmacological Activity ◽  
Heterocyclic Compounds ◽  
Medicinal Chemistry ◽  
Therapeutic Applications ◽  
Privileged Scaffold ◽  
Synthetic Methodologies ◽  
Synthetic Approaches

This review summarizes the synthetic methodologies used in the last 25 years for the synthesis of chalcones, which are a class of flavonoids having a 1,3-diphenyl-2-propene-1-one backbone. These compounds are considered a hot topic in the field of medicinal chemistry, due to their pharmacological activity and because they are important precursors for the synthesis of heterocyclic compounds with therapeutic applications such as: flavones, flavanones, isoxazolines, benzothiazepines, pyrimidines and pyrazolines derivatives.

The situation of small molecules targeting key proteins to combat SARS-CoV-2: Synthesis, metabolic pathway, mechanism of action, and potential therapeutic applications

2021 ◽  
Vol 21 ◽  
Author(s):  
Farzaneh Sorouri ◽  
Zahra Emamgholipour ◽  
Maryam Keykhaee ◽  
Alireza Najafi ◽  
Loghman Firoozpour ◽  
...  
Keyword(s):  
Small Molecules ◽  
Mechanism Of Action ◽  
Metabolic Pathway ◽  
Chemical Structure ◽  
Pediatric Patients ◽  
New Drugs ◽  
Protein Targets ◽  
Global Epidemic ◽  
Therapeutic Applications ◽  
Stimulation Of

: Due to the global epidemic and high mortality of 2019 coronavirus disease (COVID-19), there is an immediate need to discover drugs that can help before a vaccine becomes available. Given that the process of producing new drugs is so long, the strategy of repurposing existing drugs is one of the promising options for the urgent treatment of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the virus that causes COVID-19 disease. Although FDA has approved Remdesivir for the use in hospitalized adults and pediatric patients suffering from COVID-19, no fully effective and reliable drug has been yet identified worldwide to treat COVID-19 specifically. Thus, scientists are still trying to find antivirals specific to COVID-19. This work reviews the chemical structure, metabolic pathway, mechanism of action of existing drugs with potential therapeutic applications for COVID-19. Further, we summarized the molecular docking stimulation of the medications related to key protein targets. These already drugs could be developed for further clinical trials to supply suitable therapeutic options for patients suffering from COVID-19.

ChemInform Abstract: Autophagy-Regulating Small Molecules and Their Therapeutic Applications

ChemInform ◽  
2012 ◽  
Vol 43 (30) ◽  
pp. no-no
Author(s):  
Kyung-Hwa Baek ◽  
Jihye Park ◽  
Injae Shin
Keyword(s):  
Small Molecules ◽  
Therapeutic Applications
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