Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
6.7
4.6
Journals
Molecules
Special Issues
Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS
molecules-logo
Submit to Molecules Review for Molecules Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS

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

Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 21729

Special Issue Editors

Prof. Dr. Ioannis P. Gerothanassis

E-Mail Website
Guest Editor
Section of Organic Chemistry & Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece
Interests: bioorganic chemistry; natural product chemistry; NMR spectroscopy; structural biology; food chemistry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Muhammad Iqbal Choudhary

E-Mail Website
Guest Editor
International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, Pakistan
Interests: bioorganic chemistry; structural organic chemistry; natural products
Special Issues, Collections and Topics in MDPI journals
Dr. Hina Siddiqui

E-Mail Website
Guest Editor
International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, Pakistan
Interests: Bioorganic Chemistry; Synthetic Chemistry

Special Issue Information

Dear Colleagues,

This Special Issue will honor Prof. Atta-ur-Rahman for his pioneering contribution in the field of Bioorganic, Synthetic, and Natural Product Chemistry and the establishment of ICCBS as a leading institution internationally, in the field of Natural Product Chemistry. Prof. Atta-ur-Rahman obtained his Ph.D. in organic chemistry from Cambridge University (1968). He is the author of 1232 publications in several fields of organic chemistry, including 771 research publications, 45 international patents, 70 chapters in books, and 341 books published largely by major US and European presses. He is the Editor-in-Chief of eight European Chemistry journals. He is Editor of the world’s leading encyclopedic series of volumes on natural products, “Studies in Natural Product Chemistry”. 64 volumes of which have been published under his Editorship‎ during the last two decades. Eighty-two students have completed their Ph.D. degrees under his supervision.

Prof. Rahman is the first scientist from the Muslim world to have won the prestigious UNESCO Science Prize (1999) in the 35-year-old history of the Prize. He was elected as Fellow of Royal Society (London) in July 2006. He has been conferred honorary doctorate degrees by many universities including a Doctor of Science (Sc.D.) by Cambridge University (UK) (1987), Honorary degree of Doctor of Education by Coventry University UK (2007), Honorary D.Sc. degree by Bradford University (2010), Honorary Ph.D. by Asian Institute of Technology (2010), and Honorary Doctorate from the King of Malaysia (University of Technology, Mara, 2011). He was elected Honorary Life Fellow of Kings College, Cambridge University, UK in 2007. Prof. Atta-ur-Rahman was conferred the TWAS (Italy) Prize for Institution Building in October 2009 in recognition of his contributions for bringing about revolutionary changes in the higher education sector in Pakistan. The Austrian government has honored him with its highest civil award (“Grosse Goldene Ehrenzeischen am Bande") (2007) in recognition of his eminent contributions. He is President of the Network of Academies of Sciences of Islamic Countries (NASIC), Foreign Fellow of Korean Academy of Sciences, and Foreign Fellow of the Chinese Chemical Society. Prof. Atta-ur-Rahman has won the International Scientific Corporation Award by the Chinese Academy of Science (CAS) for building scientific collaborations between China and Pakistan (2014), has been awarded prestigious “Einstein Professorship” by the Chinese Academy of Sciences (CAS), 2013 and was also awarded with the “Friendship Award of China” on 28 September 2014.He has also been appointed as Foreign Member of Chinese Academy of Sciences (2015). On 10 January 2020, the highest award of China was conferred on him, “Chinese International Cooperation Award on Science and Technology”, at a special ceremony by the President of China H.E. Mr. Xi Chin Ping.

Prof. Atta-ur-Rahman is the President of the Network of Academies of Science in Countries of the Organization of Islamic Conference (NASIC). He has been elected as the President of the Pakistan Academy of Sciences twice from 2003 to 2006 and 2011 to 2014. He was the Federal Minister for Science and Technology (14 March 2000–20 November 2002), Federal Minister of Education (2002) and Chairman of the Higher Education Commission with the status of a Federal Minister from 2002 to 2008. Prof. Atta-ur-Rahman was the Coordinator General of COMSTECH, an OIC Ministerial Committee comprising the 57 Ministers of Science and Technology from 57 OIC member countries from 1996 to 2012. He is a Distinguished National Professor as well as Professor Emeritus at Karachi University.

In recognition of his global outstanding services to the development of Science and Technology, the largest university in Malaysia, University of Technology Mara, Malaysia UiTM, established an institution entitled “Atta-ur-Rahman Institute on Natural Product Discovery (AuRins)” in 2013. The National University of Science and Technology (NUST) also established an Institute named “Atta-ur-Rahman School of Applied Biosciences (ASAB)” at their university in Islamabad in 2011. On 23 October 2019, Prof. Atta-ur Rahman was appointed as Chairman of Prime Minister’s Task Force on Science and Technology, Vice Chairman on Prime Minister’s Task Force on Technology Driven Knowledge Economy, and Co- Chair, Task Force on Information Technology.

Prof. Dr. Atta-ur-Rahman is the most decorated scientist of Pakistan, having won four civil awards by the government of Pakistan, including Tamgha-i-Imtiaz (1983), Sitara-i-Imtiaz (1991), Hilal-i-Imtiaz (1998), and the highest national civil award Nishan-i-Imtiaz (2002).

In the Special Issue, we aim to collect original research articles and review articles in the following topics:

  1. Isolation and structure elucidation of bioactive compounds;
  2. Development of new methods for structure elucidation;
  3. Synthetic transformations of biologically and biosynthetically interesting compounds;
  4. Plant metabolomics.

Prof. Dr. Muhammad Iqbal Choudhary
Prof. Dr. Ioannis P. Gerothanassis
Dr. Hina Siddiqui
Guest Editors

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.

Keywords

  • natural products
  • NMR spectroscopy
  • mass spectrometry
  • biotechnology
  • metabolomics
  • computational methods

Published Papers (6 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

Jump to: Review

12 pages, 974 KiB  
Article
Phytochemical Characterizations of Maranthes polyandra (Benth.) Prance
by Nida Ali, Farooq-Ahmad Khan, Kayode Muritala Salawu, Rimsha Irshad, Almas Jabeen, Chun-Lei Zhang, Muhammad Iqbal Choudhary, Xin-Min Liu and Yan Wang
Molecules 2022, 27(4), 1316; https://doi.org/10.3390/molecules27041316 - 15 Feb 2022
Cited by 1 | Viewed by 2362
Abstract
Two new ursane-type triterpenoids, named Polyanside A (1) and B (2), along with eleven known compounds (3–13), were isolated and elucidated from Maranthes polyandra (Benth.) Prance. The structures of these compounds were elucidated based on [...] Read more.
Two new ursane-type triterpenoids, named Polyanside A (1) and B (2), along with eleven known compounds (3–13), were isolated and elucidated from Maranthes polyandra (Benth.) Prance. The structures of these compounds were elucidated based on chemical evidence and multiple spectroscopic data. Isolated compounds were evaluated for anti-cancer, anti-inflammatory activities, and cytotoxicity on a normal human cell line (BJ). None of them showed activity and cytotoxicity. The hexane fraction was analyzed by GC-MS, resulting in the identification of forty-one compounds. This is the first comprehensive study on the phytochemistry of M. polyandra. Full article
(This article belongs to the Special Issue Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS)
►▼ Show Figures

Graphical abstract

16 pages, 3351 KiB  
Article
Addition of Vindoline to p-Benzoquinone: Regiochemistry, Stereochemistry and Symmetry Considerations
by Shamsher Ali, Eric Hénon, Ritchy Leroy and Georges Massiot
Molecules 2021, 26(21), 6395; https://doi.org/10.3390/molecules26216395 - 22 Oct 2021
Cited by 1 | Viewed by 1943
Abstract
Vindoline and catharanthine are the major alkaloids of Catharanthus roseus and are extracted in large quantities to prepare the pharmaceutically important Vinca type alkaloids vincaleukoblastine, vincristine and navelbine. The higher yield of vindoline relative to catharanthine makes it an attractive substrate for developing [...] Read more.
Vindoline and catharanthine are the major alkaloids of Catharanthus roseus and are extracted in large quantities to prepare the pharmaceutically important Vinca type alkaloids vincaleukoblastine, vincristine and navelbine. The higher yield of vindoline relative to catharanthine makes it an attractive substrate for developing new chemistry and adding value to the plant. In this context, we have reacted vindoline with a selection of electrophiles among which benzoquinone. Conditions were developed to optimize the synthesis of a mono-adduct, of five bis-adducts, and of tri-adducts and tetra-adducts, several of these adducts being mixtures of conformational isomers. Copper(II) was added to the reactions to promote reoxidation of the intermediate hydroquinones and simplify the reaction products. The structures were solved by spectroscopic means and by symmetry considerations. Among the bis-isomers, the 2,3-diadduct consists of three unseparable species, two major ones with an axis of symmetry, thus giving a single set of signals and existing as two different species with indistinguishable NMR spectra. The third and minor isomer has no symmetry and therefore exhibits nonequivalence in the signals of the two vindoline moieties. These isomers are designated as syn (minor) and anti (major) and there exists a high energy barrier between them making their interconversion difficult. DFT calculations on simplified model compounds demonstrate that the syn-anti interconversion is not possible at room temperature on the NMR chemical shift time scale. These molecules are not rigid and calculations showed a back-and-forth conrotatory motion of the two vindolines. This “windshield wiper” effect is responsible for the observation of exchange correlations in the NOESY spectra. The same phenomenon is observed with the higher molecular weight adducts, which are also mixtures of rotational isomers. The same lack of rotations between syn and anti isomers is responsible for the formation of four tri-adducts and of seven tetra-adducts. On a biological standpoint, the mono adduct displayed anti-inflammatory properties at the 5 μM level while the di-adducts and tri-adducts showed moderate cytotoxicity against Au565, and HeLa cancer cell lines. Full article
(This article belongs to the Special Issue Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS)
►▼ Show Figures

Figure 1

19 pages, 5981 KiB  
Article
DFT Calculations of 1H NMR Chemical Shifts of Geometric Isomers of Conjugated Linolenic Acids, Hexadecatrienyl Pheromones, and Model Triene-Containing Compounds: Structures in Solution and Revision of NMR Assignments
by Themistoklis Venianakis, Christina Oikonomaki, Michael G. Siskos, Alexandra Primikyri and Ioannis P. Gerothanassis
Molecules 2021, 26(11), 3477; https://doi.org/10.3390/molecules26113477 - 07 Jun 2021
Cited by 8 | Viewed by 3812
Abstract
A DFT study of the 1H NMR chemical shifts, δ(1H), of geometric isomers of 18:3 conjugated linolenic acids (CLnAs), hexadecatrienyl pheromones, and model triene-containing compounds is presented, using standard functionals (B3LYP and PBE0) as well as corrections for dispersion interactions [...] Read more.
A DFT study of the 1H NMR chemical shifts, δ(1H), of geometric isomers of 18:3 conjugated linolenic acids (CLnAs), hexadecatrienyl pheromones, and model triene-containing compounds is presented, using standard functionals (B3LYP and PBE0) as well as corrections for dispersion interactions (B3LYP-D3, APFD, M06–2X and ωB97XD). The results are compared with literature experimental δ(1H) data in solution. The closely spaced “inside” olefinic protons are significantly more deshielded due to short-range through-space H…H steric interactions and appear close to or even beyond δ-values of aromatic systems. Several regularities of the computational δ(1H) of the olefinic protons of the conjugated double bonds are reproduced very accurately for the lowest-energy DFT-optimized single conformer for all functionals used and are in very good agreement with experimental δ(1H) in solution. Examples are provided of literature studies in which experimental resonance assignments deviate significantly from DFT predictions and, thus, should be revised. We conclude that DFT calculations of 1H chemical shifts of trienyl compounds are powerful tools (i) for the accurate prediction of δ(1H) even with less demanding functionals and basis sets; (ii) for the unequivocal identification of geometric isomerism of conjugated trienyl systems that occur in nature; (iii) for tackling complex problems of experimental resonance assignments due to extensive signal overlap; and (iv) for structure elucidation in solution. Full article
(This article belongs to the Special Issue Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS)
►▼ Show Figures

Graphical abstract

18 pages, 3902 KiB  
Article
NMR and Computational Studies as Analytical and High-Resolution Structural Tool for Complex Hydroperoxides and Diastereomeric Endo-Hydroperoxides of Fatty Acids in Solution-Exemplified by Methyl Linolenate
by Raheel Ahmed, Panayiotis C. Varras, Michael G. Siskos, Hina Siddiqui, M. Iqbal Choudhary and Ioannis P. Gerothanassis
Molecules 2020, 25(21), 4902; https://doi.org/10.3390/molecules25214902 - 23 Oct 2020
Cited by 12 | Viewed by 2521
Abstract
A combination of selective 1D Total Correlation Spectroscopy (TOCSY) and 1H-13C Heteronuclear Multiple Bond Correlation (HMBC) NMR techniques has been employed for the identification of methyl linolenate primary oxidation products without the need for laborious isolation of the individual compounds. [...] Read more.
A combination of selective 1D Total Correlation Spectroscopy (TOCSY) and 1H-13C Heteronuclear Multiple Bond Correlation (HMBC) NMR techniques has been employed for the identification of methyl linolenate primary oxidation products without the need for laborious isolation of the individual compounds. Complex hydroperoxides and diastereomeric endo-hydroperoxides were identified and quantified. Strongly deshielded C–O–O–H 1H-NMR resonances of diastereomeric endo-hydroperoxides in the region of 8.8 to 9.6 ppm were shown to be due to intramolecular hydrogen bonding interactions of the hydroperoxide proton with an oxygen atom of the five-member endo-peroxide ring. These strongly deshielded resonances were utilized as a new method to derive, for the first time, three-dimensional structures with an assignment of pairs of diastereomers in solution with the combined use of 1H-NMR chemical shifts, Density Functional Theory (DFT), and Our N-layered Integrated molecular Orbital and molecular Mechanics (ONIOM) calculations. Full article
(This article belongs to the Special Issue Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS)
►▼ Show Figures

Figure 1

14 pages, 2173 KiB  
Article
Cichorins D–F: Three New Compounds from Cichorium intybus and Their Biological Effects
by Muhammad Farooq Khan, Fahd A. Nasr, Omar M. Noman, Nouf Abdulaziz Alyhya, Iftikhar Ali, Mohamad Saoud, Robert Rennert, Mthandazo Dube, Wahid Hussain, Ivan R. Green, Omer Ahmed M. Basudan, Riaz Ullah, Shamsa Hilal Anazi and Hidayat Hussain
Molecules 2020, 25(18), 4160; https://doi.org/10.3390/molecules25184160 - 11 Sep 2020
Cited by 16 | Viewed by 3359
Abstract
Cichorium intybus L., (chicory) is employed in various traditional medicines to treat a wide range of diseases and disorders. In the current investigation, two new naphthalane derivatives viz., cichorins D (1) and E (2), along with one new anthraquinone [...] Read more.
Cichorium intybus L., (chicory) is employed in various traditional medicines to treat a wide range of diseases and disorders. In the current investigation, two new naphthalane derivatives viz., cichorins D (1) and E (2), along with one new anthraquinone cichorin F (3), were isolated from Cichorium intybus. In addition, three previously reported compounds viz., β-sitosterol (4), β-sitosterol β-glucopyranoside (5), and stigmasterol (6) were also isolated from Cichorium intybus. Their structures were established via extensive spectroscopic data, including 1D (1H and 13C) and 2D NMR (COSY, HSQC and HMBC), and ESIMS. Cichorin E (2) has a weak cytotoxic effect on breast cancer cells (MDA-MB-468: IC50: 85.9 µM) and Ewing’s sarcoma cells (SK-N-MC: IC50: 71.1 µM); cichorin F (3) also illustrated weak cytotoxic effects on breast cancer cells (MDA-MB-468: IC50: 41.0 µM and MDA-MB-231: IC50: 45.6 µM), and SK-N-MC cells (IC50: 71.9 µM). Moreover compounds 1–3 did not show any promising anthelmintic effects. Full article
(This article belongs to the Special Issue Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS)
►▼ Show Figures

Figure 1

Review

Jump to: Research

40 pages, 3162 KiB  
Review
The Genus Haplophyllum Juss.: Phytochemistry and Bioactivities—A Review
by Majid Mohammadhosseini, Alessandro Venditti, Claudio Frezza, Mauro Serafini, Armandodoriano Bianco and Behnam Mahdavi
Molecules 2021, 26(15), 4664; https://doi.org/10.3390/molecules26154664 - 31 Jul 2021
Cited by 31 | Viewed by 3010
Abstract
Herein, a comprehensive review is given focusing on the chemical profiles of the essential oils (EOs), non-volatile compounds, ethnobotany, and biological activities of different Haplophyllum (Rutaceae family) species. To gather the relevant data, all the scientific databases, including Scopus, ISI-WOS (Institute of Scientific [...] Read more.
Herein, a comprehensive review is given focusing on the chemical profiles of the essential oils (EOs), non-volatile compounds, ethnobotany, and biological activities of different Haplophyllum (Rutaceae family) species. To gather the relevant data, all the scientific databases, including Scopus, ISI-WOS (Institute of Scientific Information-Web of Science), and PubMed and highly esteemed publishers such as Elsevier, Springer, Taylor and Francis, etc., were systematically retrieved and reviewed. A wide array of valuable groups of natural compounds, e.g., terpenoids, coumarins, alkaloids, lignans, flavonoids, and organic acids have been isolated and subsequently characterized in different organic extracts of a number of Haplophyllum species. In addition, some remarkable antimicrobial, antifungal, anti-inflammatory, anticancer, cytotoxic, antileishmanial, and antialgal effects as well as promising remedial therapeutic properties have been well-documented for some species of the genus Haplophyllum. Full article
(This article belongs to the Special Issue Theme Issue in Honor of Professor Atta-Ur-Rahman, FRS)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-6
Back to TopTop