scholarly journals Investigating 3,3-Diaryloxetanes as Potential Bioisosteres Through Matched Molecular Pair Analysis

2021 ◽  
Author(s):  
Maryne Dubois ◽  
Rosemary Croft ◽  
Yujie Ding ◽  
Chulho Choi ◽  
Dafydd Owen ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Medicinal Chemistry ◽  
Low Molecular Weight ◽  
Carbonyl Groups ◽  
Molecular Pair ◽  
Pair Analysis

Oxetanes have received increasing interest in medicinal chemistry as attractive polar and low molecular weight motifs. The application of oxetanes as replacements for methylene, methyl, gem-dimethyl and carbonyl groups has...

scholarly journals Investigating 3,3-Diaryloxetanes as Potential Bioisosteres in Drug Discovery

2021 ◽  
Author(s):  
Maryne A. J. Dubois ◽  
Rosemary Croft ◽  
Yujie Ding ◽  
Chulho Choi ◽  
Dafydd R. Owen ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Drug Discovery ◽  
Physicochemical Properties ◽  
Chemical Properties ◽  
Low Molecular Weight ◽  
Design Element ◽  
Carbonyl Groups ◽  
Design And Synthesis ◽  
Target Molecules ◽  
Pair Analysis

<div><div><div><p>Oxetanes have received increasing interest in medicinal chemistry as attractive polar and low molecular weight motifs. The application of oxetanes as replacements for methylene, methyl, gem-dimethyl and carbonyl groups has been demonstrated to often improve chemical properties of target molecules for drug discovery purposes. The investigation of the properties of 3,3-diaryloxetanes, particularly of interest as a benzophenone replacement, remains largely unexplored. With recent synthetic advances in accessing this motif we studied the effects of 3,3-diaryloxetanes on the physicochemical properties of ‘drug-like’ molecules. Here, we describe our efforts in the design and synthesis of a range of drug-like compounds for matched molecular pair analysis to investigate the viability of the 3,3-diaryloxetane motif as a replacement group in drug discovery. We conclude that the properties of the diaryloxetanes and ketones are similar, and generally superior to related alkyl linkers, and that diaryloxetanes provide a potentially useful new design element.</p></div></div></div>

scholarly journals Investigating 3,3-Diaryloxetanes as Potential Bioisosteres in Drug Discovery

2021 ◽  
Author(s):  
Maryne A. J. Dubois ◽  
Rosemary Croft ◽  
Yujie Ding ◽  
Chulho Choi ◽  
Dafydd R. Owen ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Drug Discovery ◽  
Physicochemical Properties ◽  
Chemical Properties ◽  
Low Molecular Weight ◽  
Design Element ◽  
Carbonyl Groups ◽  
Design And Synthesis ◽  
Target Molecules ◽  
Pair Analysis

<div><div><div><p>Oxetanes have received increasing interest in medicinal chemistry as attractive polar and low molecular weight motifs. The application of oxetanes as replacements for methylene, methyl, gem-dimethyl and carbonyl groups has been demonstrated to often improve chemical properties of target molecules for drug discovery purposes. The investigation of the properties of 3,3-diaryloxetanes, particularly of interest as a benzophenone replacement, remains largely unexplored. With recent synthetic advances in accessing this motif we studied the effects of 3,3-diaryloxetanes on the physicochemical properties of ‘drug-like’ molecules. Here, we describe our efforts in the design and synthesis of a range of drug-like compounds for matched molecular pair analysis to investigate the viability of the 3,3-diaryloxetane motif as a replacement group in drug discovery. We conclude that the properties of the diaryloxetanes and ketones are similar, and generally superior to related alkyl linkers, and that diaryloxetanes provide a potentially useful new design element.</p></div></div></div>

A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compounds

MedChemComm ◽  
2012 ◽  
Vol 3 (5) ◽  
pp. 584 ◽  
Author(s):  
Sabine Schultes ◽  
Chris de Graaf ◽  
Helmut Berger ◽  
Moriz Mayer ◽  
Andreas Steffen ◽  
...  
Keyword(s):  
Melting Point ◽  
Medicinal Chemistry ◽  
Molecular Pair ◽  
Pair Analysis

THE ANIONIC POLYMERIZATION OF ALLYL ACRYLATE AND OF ALLYL METHACRYLATE

1966 ◽  
Vol 44 (6) ◽  
pp. 695-702 ◽  
Author(s):  
S. Bywater ◽  
P. E. Black ◽  
D. AM. Wiles
Keyword(s):  
Molecular Weight ◽  
Anionic Polymerization ◽  
Allyl Alcohol ◽  
Polymer Chains ◽  
Cross Linking ◽  
Low Molecular Weight ◽  
Carbonyl Groups ◽  
Double Bonds ◽  
Soluble Product ◽  
Allyl Methacrylate

The low temperature polymerization of allyl acrylate in toluene solution has been investigated with n-butyllithium and 1,1-diphenyl-n-hexyllithium initiators. The latter was also used in a study of the polymerization of allyl methacrylate under the same conditions. The reactions between initiator and monomer were rapid in all cases. More than half of the initiator molecules reacted with monomer acrylic double bonds to start polymer chains, only a few of which grew to a high molecular weight, highly isotactic product. Most of the chains remained as a low molecular weight, precipitant-soluble product. The remaining initiator molecules reacted with the carbonyl groups of the monomers to produce species which could be detected as allyl alcohol, after termination of the reaction with acetic acid. The allyl double bonds were not involved in reactions during polymerization but were presumably responsible for the cross-linking which occurred when the polymers were exposed to air.

Strategies for the Synthesis of Mono- and Bis-Thionaphthoquinones

2021 ◽  
Vol 18 ◽  
Author(s):  
Vitor F. Ferreira ◽  
Alcione S. de Carvalho ◽  
David R. da Rocha
Keyword(s):  
Molecular Weight ◽  
Medicinal Chemistry ◽  
Biological Activities ◽  
Biological Properties ◽  
Low Molecular Weight ◽  
Biological Targets ◽  
Sulfur Heterocycles

: The subclass of compounds that have the nucleus 1,4-naphthoquinone is the most diverse of the class of quinones, which have a large number of substances and several that have useful applications ranging from medicinal chemistry to application in materials with special properties. The introduction of one or two substituents with the sulfur heteroatom in the naphthoquinone nucleus generates products containing alkyl and aryl groups that amplify certain biological properties against bacteria, viruses and fungi. There are several methods of preparing these compounds, mainly from low molecular weight naphthoquinones with two electrophilic sites capable of reacting with sulfides generating diversity and new classes of compounds, including new sulfur heterocycles and sulfur heterocycles fused with naphthoquinones. These compounds have been shown to be bioactive against several biological targets. This review will describe the methods of their synthesis and, when applicable, their biological activities.

scholarly journals POTENSI LOGAM OKSIDA SEBAGAI FOTOKATALIS DEGRADASI PLASTIK DI AIR LAUT

OSEANA ◽  
2020 ◽  
Vol 45 (1) ◽  
pp. 40-58
Author(s):  
Muhammad Safaat
Keyword(s):  
Molecular Weight ◽  
Thermal Degradation ◽  
Metal Oxides ◽  
Low Molecular Weight ◽  
Marine Biota ◽  
Carbonyl Groups ◽  
Photocatalytic Process ◽  
Plastic Debris ◽  
Indonesian Seas ◽  
Plastic Degradation

Microplastics have been found in Indonesian seas from surface to sediments with varying amounts, sizes and shapes. Microplastics in surface and sediments can negatively affect biota. Microplastic can stick to the surface and enter the marine biota through direct consumption, inhalation, and trophic transfer. A number of approaches have been proposed to deal with the plastic debris. This includes combustion, thermal degradation, biodegradation and photocatalysis. A nanostructure photocatalyst can be an environmentally friendly way to fix the problem of plastic debris. Metals can catalyze dissociation of hydroperoxides and increase oxidative cutting of polyolefins. In this review, we want to assess the feasibility of metal oxides as photocatalysts for plastic degradation, especially in seawater. Metal oxides can catalyze plastic degradation and form several compounds along the chain, such as hydroxyl (alcohol), peroxide, carbonyl groups, esters, and low molecular weight molecules. In general, metal oxide modification can increase the effectiveness of the plastic degradation photocatalytic process.

Advances in Computational Medicinal Chemistry: Matched Molecular Pair Analysis

2012 ◽  
Vol 73 (8) ◽  
pp. 518-527 ◽  
Author(s):  
Anne Mai Wassermann ◽  
Dilyana Dimova ◽  
Preeti Iyer ◽  
Jürgen Bajorath
Keyword(s):  
Medicinal Chemistry ◽  
Molecular Pair ◽  
Pair Analysis

scholarly journals Special Issue “Recent Advances in the Synthesis, Functionalization and Applications of Pyrazole-Type Compounds”

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4989
Author(s):  
Vera L. M. Silva ◽  
Artur M. S. Silva
Keyword(s):  
Molecular Weight ◽  
Physicochemical Properties ◽  
Medicinal Chemistry ◽  
Biological Activities ◽  
Reduced Form ◽  
Low Molecular Weight ◽  
Special Issue ◽  
Recent Advances ◽  
Low Molecular Weight Compounds ◽  
Privileged Scaffolds

Pyrazoles and their reduced form, pyrazolines, are considered privileged scaffolds in medicinal chemistry, owing to their remarkable biological activities, physicochemical properties and occurrence in many low-molecular-weight compounds present in several marketed drugs (e [...]

A high-performance oil-free backing pump for electron microscopes

1978 ◽  
Vol 36 (1) ◽  
pp. 110-111
Author(s):  
G.K.W. Balkau ◽  
E. Bez ◽  
J.L. Farrant
Keyword(s):  
Molecular Weight ◽  
Electron Microscope ◽  
Hot Spots ◽  
High Performance ◽  
Carbonaceous Material ◽  
Contamination Rate ◽  
Low Molecular Weight ◽  
Principal Source ◽  
Rotary Pumps ◽  
Electron Microscopes

The earliest account of the contamination of electron microscope specimens by the deposition of carbonaceous material during electron irradiation was published in 1947 by Watson who was then working in Canada. It was soon established that this carbonaceous material is formed from organic vapours, and it is now recognized that the principal source is the oil-sealed rotary pumps which provide the backing vacuum. It has been shown that the organic vapours consist of low molecular weight fragments of oil molecules which have been degraded at hot spots produced by friction between the vanes and the surfaces on which they slide. As satisfactory oil-free pumps are unavailable, it is standard electron microscope practice to reduce the partial pressure of organic vapours in the microscope in the vicinity of the specimen by using liquid-nitrogen cooled anti-contamination devices. Traps of this type are sufficient to reduce the contamination rate to about 0.1 Å per min, which is tolerable for many investigations.

Low-molecular-weight heparin in the prevention and treatment of thromboembolic disorders

1998 ◽  
Vol 1 (5) ◽  
pp. 166-174 ◽  
Author(s):  
Evelyn R Hermes De Santis ◽  
Betsy S Laumeister ◽  
Vidhu Bansal ◽  
Vandana Kataria ◽  
Preeti Loomba ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Low Molecular Weight Heparin ◽  
Low Molecular Weight ◽  
Prevention And Treatment
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