Synthesis and Derivatization of Julolidine: A Powerful Heterocyclic Structure

2019 ◽  
Vol 2019 (27) ◽  
pp. 4273-4310 ◽  
Author(s):  
Jodieh Oliveira Santana Varejão ◽  
Eduardo Vinícius Vieira Varejão ◽  
Sergio Antonio Fernandes
Keyword(s):  
Heterocyclic Structure

Exploring chemistry features of favipiravir in octanol/water solutions

2021 ◽  
pp. 1-12
Author(s):  
Halimeh Rajabzadeh ◽  
Ayla Sharafat ◽  
Maryam Abbasi ◽  
Maryam Eslami Gharaati ◽  
Iraj Alipourfard
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Partition Coefficients ◽  
Density Functional ◽  
Water Solution ◽  
Peptide Group ◽  
Functional Theory ◽  
Water Solutions ◽  
Group Rotations ◽  
Heterocyclic Structure

Favipiravir (Fav) has become a well-known drug for medication of patients by appearance of COVID-19. Heterocyclic structure and connected peptide group could make changes for Fav yielding different features from those required features. Therefore, it is indeed a challenging task to prepare a Fav compound with specific features of desired function. In this work, existence of eight Fav structures by tautomeric formations and peptide group rotations were obtained using density functional theory (DFT) optimization calculations. Gas phase, octanol solution, and water solution were employed to show impact of solution on features of Fav besides obtaining partition coefficients (LogP) for Fav compounds. Significant impacts of solutions were seen on features of Fav with the obtained LogP order: Fav-7 >  Fav-8 >  Fav-4 >  Fav-3 >  Fav-2 >  Fav-5 >  Fav-1 >  Fav-6. As a consequence, internal changes yielded significant impacts on features of Fav affirming its carful medication of COVID-19 patients.

scholarly journals Biochemistry of fluoroprolines: the prospect of making fluorine a bioelement

2021 ◽  
Vol 17 ◽  
pp. 439-460
Author(s):  
Vladimir Kubyshkin ◽  
Rebecca Davis ◽  
Nediljko Budisa
Keyword(s):  
Amino Acids ◽  
Protein Expression ◽  
Physicochemical Properties ◽  
Protein Production ◽  
Living Cells ◽  
Evolutionary Methods ◽  
Hypothetical Scenario ◽  
Synthetic Cells ◽  
A Cell ◽  
Heterocyclic Structure

Due to the heterocyclic structure and distinct conformational profile, proline is unique in the repertoire of the 20 amino acids coded into proteins. Here, we summarize the biochemical work on the replacement of proline with (4R)- and (4S)-fluoroproline as well as 4,4-difluoroproline in proteins done mainly in the last two decades. We first recapitulate the complex position and biochemical fate of proline in the biochemistry of a cell, discuss the physicochemical properties of fluoroprolines, and overview the attempts to use these amino acids as proline replacements in studies of protein production and folding. Fluorinated proline replacements are able to elevate the protein expression speed and yields and improve the thermodynamic and kinetic folding profiles of individual proteins. In this context, fluoroprolines can be viewed as useful tools in the biotechnological toolbox. As a prospect, we envision that proteome-wide proline-to-fluoroproline substitutions could be possible. We suggest a hypothetical scenario for the use of laboratory evolutionary methods with fluoroprolines as a suitable vehicle to introduce fluorine into living cells. This approach may enable creation of synthetic cells endowed with artificial biodiversity, containing fluorine as a bioelement.

scholarly journals Biodegradable Oligoesters of ε-Caprolactone and 5-Hydroxymethyl-2-Furancarboxylic Acid Synthesized by Immobilized Lipases

Polymers ◽  
2019 ◽  
Vol 11 (9) ◽  
pp. 1402 ◽  
Author(s):  
Todea ◽  
Bîtcan ◽  
Aparaschivei ◽  
Păușescu ◽  
Badea ◽  
...  
Keyword(s):  
Melting Point ◽  
Raw Materials ◽  
Polymeric Chain ◽  
Chemical Route ◽  
Renewable Raw Materials ◽  
Immobilized Lipases ◽  
Polymeric Compounds ◽  
Ft Ir ◽  
Candida Antarctica B ◽  
Heterocyclic Structure

Following the latest developments, bio-based polyesters, obtained from renewable raw materials, mainly carbohydrates, can be competitive for the fossil-based equivalents in various industries. In particular, the furan containing monomers are valuable alternatives for the synthesis of various new biomaterials, applicable in food additive, pharmaceutical and medical field. The utilization of lipases as biocatalysts for the synthesis of such polymeric compounds can overcome the disadvantages of high temperatures and metal catalysts, used by the chemical route. In this work, the enzymatic synthesis of new copolymers of ε-caprolactone and 5-hydroxymethyl-2-furancarboxylic acid has been investigated, using commercially available immobilized lipases from Candida antarctica B. The reactions were carried out in solvent-less systems, at temperatures up to 80 °C. The structural analysis by MALDI TOF-MS, NMR, and FT-IR spectroscopy confirmed the formation of cyclic and linear oligoesters, with maximal polymerization degree of 24 and narrow molecular weight distribution (dispersity about 1.1). The operational stability of the biocatalyst was explored during several reuses, while thermal analysis (TG and DSC) indicated a lower thermal stability and higher melting point of the new products, compared to the poly(ε-caprolactone) homopolymer. The presence of the heterocyclic structure in the polymeric chain has promoted both the lipase-catalyzed degradation and the microbial degradation. Although, poly(ε-caprolactone) is a valuable biocompatible polymer with important therapeutic applications, some drawbacks such as low hydrophilicity, low melting point, and relatively slow biodegradability impeded its extensive utilization. In this regard the newly synthesized furan-based oligoesters could represent a “green” improvement route.

Recent Synthetic Methodologies for Chalcone Synthesis (2013-2018)

2019 ◽  
Vol 6 (3) ◽  
pp. 184-192 ◽  
Author(s):  
Saba Farooq ◽  
Zainab Ngaini
Keyword(s):  
Carbonyl Compounds ◽  
Short Review ◽  
High Yield ◽  
New Methods ◽  
Recent Modification ◽  
Synthetic Methodologies ◽  
Derivatives Of ◽  
Heterocyclic Structure

An up-to-date short review of the chalcone methodologies is presented, which is the most interesting and beneficial for choosing the desired protocol to synthesize suitable derivatives of chalcones. Chalcones are fluorescent, stable compounds which contribute to the synthesis of various pharmacologically important heterocyclic structure-based derivatives. Chalcone has displayed a remarkable curative efficiency to cure several diseases. Several schemes and methodologies have been reported for employing different catalysts and reagents. The development of improved methodologies of α, β-unsaturated carbonyl compounds is still on going. In this review, synthetic methodologies and their recent modification in designing new methods with efficient, economical, eco-friendly and high yield are discussed.

scholarly journals Current Updates on Oxazolidinone and Its Significance

2012 ◽  
Vol 2012 ◽  
pp. 1-24 ◽  
Author(s):  
Neha Pandit ◽  
Rajeev K. Singla ◽  
Birendra Shrivastava
Keyword(s):  
Antibacterial Activity ◽  
Mechanism Of Action ◽  
Heterocyclic Ring ◽  
Pharmacological Mechanism ◽  
Research Activities ◽  
Current Review ◽  
Review Articles ◽  
Medicinal Properties ◽  
Synthetic Routes ◽  
Heterocyclic Structure

Oxazolidinone is a five-member heterocyclic ring exhibiting potential medicinal properties with preferential antibacterial activity. Scientists reported various synthetic procedures for this heterocyclic structure. Current review articles tried to cover each and every potential aspect of oxazolidinone like synthetic routes, pharmacological mechanism of action, medicinal properties, and current research activities.

A new heterocyclic structure. The [1,2,3]triazolo[1,5-d][1,2,4]triazine

1988 ◽  
Vol 25 (3) ◽  
pp. 743-750 ◽  
Author(s):  
Mario Bianchi ◽  
Alina Butti ◽  
Jacques Perronnet
Keyword(s):  
Heterocyclic Structure

Synthesis, Thermal Behavior, and Second-Order Nonlinear Optical Properties of Conjugated, Acceptor/Donor Compounds

1989 ◽  
Vol 173 ◽  
Author(s):  
James F. Wolfe ◽  
Susan P. Ermer ◽  
Steven M. Lovejoy ◽  
Doris S. Leung ◽  
Kenneth P. Aron ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dipole Moment ◽  
Harmonic Generation ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Nonlinear Optical Susceptibility ◽  
Optical Susceptibility ◽  
Aromatic Heterocyclic ◽  
Heterocyclic Structure

ABSTRACTNew noncentrosymmetric compounds having both electron-accepting and electron-donating substituents on a conjugated, aromatic heterocyclic structure were synthesized and their spectroscopic, thermal, and solubility properties were determined. D.C. electric field-induced second harmonic generation (EFISH) experiments were performed to provide values of the second-order nonlinear optical susceptibility/dipole moment product βμ. Long alkyl substituents were required in heterocycle-containing compounds for sufficient solubility to conduct EFISH analysis. 2,4-Dinitro-substitution on these imine-linked materials gave the highest βμ in the series.

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