molecules-logo

Journal Browser

Journal Browser

Heterocyclic, Medicinal and Theoretical Chemistry: A Themed Issue in Honor of Professor Jose Elguero’s Great Contribution

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".

Deadline for manuscript submissions: closed (31 March 2023) | Viewed by 4420

Special Issue Editor


E-Mail Website
Guest Editor
Institute of Applied Molecular Medicine, CEU San Pablo University, Madrid, Spain
Interests: neuroregeneration; neurodegeneration; neuroprotection; neuroinflammation; oxidative stress; molecular physiology; physiopathology; molecular pharmacology; medicinal chemistry; drug-discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Professor Jose Elguero Bertolini is an eminent scientist, internationally recognized for his track record of outstanding research. The enormous contribution of Professor Elguero to chemistry has been the result of the numerous collaborations he has established throughout the world over his 60-year professional career.

Professor Jose Elguero Bertolini was born and studied in Madrid. He graduated in Chemistry at Complutense University and moved to France, where he completed his doctoral thesis under Professor Robert Jacquier's supervision in Montpellier, and a few years later, he also obtained a doctorate from Complutense University. He developed his research career in Montpellier and Marseille; later, in Norwich, in England; in the Belgian city of Mons; and later in Lund, Sweden. After 20 years, he returned to Spain as a Research Professor at the CSIC Institute of Medicinal Chemistry in Madrid, where he currently remains as Honorary Research Professor.

In the field of heterocyclic chemistry, he has studied tautomerism, hydrogen bonding, and aromaticity in heterocyclic systems. The book The Tautomerism of Heterocycles, both in its original edition and after its update, is an essential reference for chemists around the world.

In physical chemistry, he has investigated the spectroscopic behavior and NMR properties of heterocycles and organometallic systems and the application of computational chemistry to the study of the structures and reactivity of these systems. He has also participated in crystallographic studies in the field of crystal engineering.

In synthetic chemistry, he has contributed to areas such as phase transfer catalysis, photochemistry, pyrolysis, solid-state and gas-phase chemistry, sonochemistry, and microwave chemistry, among others.

In medicinal chemistry, he has used the mathematical methods of quantitative structure–activity relationships (QSAR) to design a large number of biologically active compounds with different therapeutic applications. His discipline, perseverance, and, above all, eagerness and ability to obtain as much information as possible on the subject matter, but fundamentally the scientific aspect, have led him to possess an exceptional global vision, making his work an indispensable link and reference in the interdisciplinary research of many and very diverse research groups, both in our country and abroad.

To date, he has published 1807 articles in the most prestigious international scientific journals and publications. He is the author of 36 books and book chapters, and 93 discourses and scientific disseminations and 5 patents. 

The work done throughout his career has achieved plenty of recognition, such as the "Schutzenberger" Prize of the Société Chimique de France (1968); Gold Medal of the Royal Spanish Chemistry Society (1984); Solvay Award from the CEOE Foundation (1988); Prize Santiago Ramón y Cajal, from the Spanish Ministry of Education and Science (1993); Academic Fellow of the Royal Academy of Exact, Physical and Natural Sciences (2004); Miguel Catalan Prize of the Community of Madrid (2005); Academic Fellow at the Academy of Arts and Sciences of Barcelona (2006); CSIC Silver Medal; Lilly Foundation Distinguished Career Award (2008); and Honour Scholar of the Royal National Academy of Pharmacy (2009).

He was also awarded the Command of the Civil Order of Alfonso X, The Wise, and Doctor Honoris Causa in Sciences from the Universities of Castilla-La Mancha, Autonoma de Madrid, Zaragoza, Oviedo, Saint Petersburg and Aix-Marsella III, and Doctor Honoris Causa in Pharmacy from the Universities of Alcala de Henares and Montpellier I.

Professor Elguero has also been President of the Spanish Higher Council for Scientific Research; of the Social Council of the Autonomous University of Madrid; of the Chemistry and Society Forum; and of the Royal Academy of Exact, Physical and Natural Sciences. He has also been a member of the International Advisory Councils of the Campus of International Excellence of the University of Oviedo and the Pôle Chimie Balard of the University of Montpellier. He has mentored 50 PhD students and 30 Post-doctoral fellows and Visiting Students.

Finally, those who have been lucky and honored to work or collaborate with him cannot resist highlighting his generosity, understanding, and availability, as well as his recommendations to find the precise ways of collaboration and his encouragement of everyone to improve and translate their ideas into the different lines of work to be followed.

Molecules is very pleased to host a Special Issue to celebrate Professor Jose Elguero’s work and invites scientists to submit original contributions to “Heterocyclic, Medicinal and Theoretical Chemistry: A Themed Issue in Honor of Professor Jose Elguero's Great Contribution”.

Assoc. Prof. Dr. Jose Luis Lavandera
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (2 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

13 pages, 3882 KiB  
Article
Cascade Transformations of 1-R-Ethynyl-9,10-anthraquinones with Amidines: Expanding Access to Isoaporphinoid Alkaloids
by Sergey Francevich Vasilevsky, Ol’ga Leonidovna Krivenko, Irina Vasilievna Sorokina, Dmitry Sergeevich Baev, Tatyana Genrikhovna Tolstikova and Igor V. Alabugin
Molecules 2021, 26(22), 6883; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26226883 - 15 Nov 2021
Cited by 2 | Viewed by 1733
Abstract
The interaction of acetamidine and phenylamidine with peri-R-ethynyl-9,10-anthraquinones in refluxing n-butanol leads to the formation of cascade transformations products: addition/elimination/cyclization―2-R-7H-dibenzo[de,h]quinolin-7-ones and(or) 2-R-3-aroyl-7H-dibenzo[de,h]quinolin-7-ones. The anti-inflammatory and antitumor properties of the new 2-R-7H-dibenzo[ [...] Read more.
The interaction of acetamidine and phenylamidine with peri-R-ethynyl-9,10-anthraquinones in refluxing n-butanol leads to the formation of cascade transformations products: addition/elimination/cyclization―2-R-7H-dibenzo[de,h]quinolin-7-ones and(or) 2-R-3-aroyl-7H-dibenzo[de,h]quinolin-7-ones. The anti-inflammatory and antitumor properties of the new 2-R-7H-dibenzo[de,h]quinolin-7-ones were investigated in vivo, in vitro, and in silico. The synthesized compounds exhibit high anti-inflammatory activity at dose 20 mg/kg (intraperitoneal injection) in the models of exudative (histamine-induced) and immunogenic (concanavalin A-induced) inflammation. Molecular docking data demonstrate that quinolinones can potentially intercalate into DNA similarly to the antitumor drug doxorubicin. Full article
Show Figures

Figure 1

15 pages, 3305 KiB  
Article
Conformational Analysis of N-Alkyl-N-[2-(diphenylphosphoryl)ethyl]amides of Diphenylphosphorylacetic Acid: Dipole Moments, IR Spectroscopy, DFT Study
by Anastasiia Kuznetsova, Denis Chachkov, Oleg Artyushin, Natalia Bondarenko and Yana Vereshchagina
Molecules 2021, 26(16), 4832; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26164832 - 10 Aug 2021
Cited by 4 | Viewed by 1721
Abstract
Experimental and theoretical conformational analysis of N-methyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide, N-butyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide, and N-octyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide was carried out by the methods of dipole moments, IR spectroscopy, and Density Functional Theory (DFT) B3PW91/6-311++G(df,p) calculations. In solution, these N,N [...] Read more.
Experimental and theoretical conformational analysis of N-methyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide, N-butyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide, and N-octyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide was carried out by the methods of dipole moments, IR spectroscopy, and Density Functional Theory (DFT) B3PW91/6-311++G(df,p) calculations. In solution, these N,N-dialkyl substituted bisphosphorylated acetamides exist as a conformational equilibrium of several forms divided into two groups—with Z- or E-configuration of the carbonyl group and alkyl substituent, and syn or anti arrangement of the phosphoryl-containing fragments relative to the amide plane. The substituents at the phosphorus atoms have eclipsed cis- or staggered gauche-orientation relative to the P=O groups, and cis orientation of the substituents is due to the presence of intramolecular H-contacts P=O...H−Cphenyl or p,π conjugation between the phosphoryl group and the phenyl ring. Preferred conformers of acetamides molecules are additionally stabilized by various intramolecular hydrogen contacts with the participation of oxygen atoms of the P=O or C=O groups and hydrogen atoms of the methylene and ethylene bridges, alkyl substituents, and phenyl rings. However, steric factors, such as a flat amide fragment, the bulky phenyl groups, and the configuration of alkyl bridges, make a significant contribution to the realization of preferred conformers. Full article
Show Figures

Figure 1

Back to TopTop