Welcome from the Chair
For the fourth year in a row, the International Electronic Conference on Medicinal Chemistry will be organized and sponsored by the peer-reviewed journal Pharmaceuticals, which is edited by MDPI. The conference will be held online at www.sciforum.net/conference/ecmc-4 during the month of November 2018.
The aim of the Conference is to gather researchers from all over the world and encourage discussions on any scientific field related to drug discovery and development. Posting presentations, videos, or posters disclosing your recent outstanding results enables you to take advantage of the conference to promote your work among thousands of your peers. Participation, as an author or a visitor, is ABSOLUTELY FREE; simply register on the home page.
This year, as the conference sponsor, Pharmaceuticals will be giving an award for the Best Presentation as elected by the scientific committee, which consists of 500 Swiss Francs. We hope you will be able to join this exciting event and enjoy a stimulating exchange with your peers around the world. Also, we will launch a Special Issue covering the event.
On behalf of our dynamic editorial staff and active scientific committee, we warmly invite you to join us during this fourth edition and we look forward to posting your contributions.
Dr. Jean Jacques Vanden Eynde
Prof. Dr. Maria Emília de Sousa
Laboratory of Organic and Pharmaceutical Chemistry, Faculty of Pharmacy of University of Porto, Portugal
Small molecules from the sea: models for innovative antimicrobial agents
medicinal chemistry; organic synthesis; heterocycles, P-glycoprotein; anticancer; anticoagulants; chiral drugs; marine natural products
Prof. Dr. Karsten Niefind
Institut für Biochemie, Department für Chemie, Universität zu Köln, Zülpicher Straße 47, D-50674 Köln, Germany
Dr. Karsten Niefind is biochemist and apl. Professor at the Institute of Biochemistry of the University of Cologne. His research and teaching activities are dedicated to basic biochemistry and to the structure/function relationships of selected proteins, in particular involved in signal transduction and (plant) innate immune response or relevant for biotechnological applications.
structural biology; protein crystallography; enzymology; protein-protein interactions; protein kinases; EDS1-family of plant innate immune response proteins; human leukocyte elastase
Prof. Dr. Gunars Duburs
Senior research fellow of the Latvian Institute of Organic Synthesis, Deputy Chairman, Division of Chemical, Biological and Medical Sciences, Latvian Academy of Sciences, Aizkraukles 21, Rīga, LV 1006, Latvia
Gunars Duburs Professor, Dr.chem.habil, Full Member of the Latvian Academy of sciences. Principal scientist, Latvian Institute of Organic Synthesis, Laboratory of Membrane active compounds and beta-diketones. Areas of activities: organic chemistry, medicinal chemistry. Scientific interests: chemistry of heterocyclic compounds, azines, membrane active compounds. Discovered and elaborated novel drugs: radioprotector diethone for oncological clinics, antihypertensive and antianginal drug riodipine (foridone), as well antioxidant diludine as carotene stabiliser and stimulant of productivity of animals. Publications: 550 scientific articles, 475 thesis, 75 patents.
heterocyclic chemistry (mainly partially hydrogenated azines: dihydro- (tetrahydro-) pyridines, pyrimidines, polycyclic derivatives) - studies of chemical, physical chemical and biological properties; medicinal chemistry (synthesis and studies of neurotro
Prof. Dr. Valentina Onnis
Department of Life and Environmental Sciences, Unit of Pharmaceutical, Pharmacological and Nutraceutical Sciences Via Ospedale 72, I-09124 Cagliari, Italy
medicinal chemistry; enzyme inhibitors; heterocyclic compounds, antiproliferative agents
Prof. Dr. Gill Diamond
Department of Oral Biology, University of Florida College of Dentistry, Gainesville, FL 32610, USA
host fungus interactions, antimicrobial peptides, antifungal peptides, defensins, cathelicidins
Dr. Guangshun Wang
Department of Pathology & Microbiology University of Nebraska Medical Center, USA
Dr. Guangshun Wang is an Associate Professor at the University of Nebraska Medical Center (Omaha, Nebraska, USA). He is interested in developing novel compounds to treat human diseases, such as drug-resistant superbugs, viruses and cancer. His laboratory utilizes an integrated approach by combining chemistry, biophysics, bioinformatics, genetics, and structural biology. Two general methods are exploited to identify novel drug candidates. First, library screen is used. To search and screen starting templates, his laboratory has constructed the Antimicrobial Peptide Database (http://aps.unmc.edu/AP), which is widely utilized. As of July 2018, this database contained 2987 antibacterial, antiviral, antifungal, anti-parasitic and anticancer peptides, primarily from natural sources, covering the six life kingdoms (bacteria, archaea, fungi, protists, plants, and animals). Second, structure-based design is conducted. The lab uses multidimensional nuclear magnetic resonance (NMR) spectroscopy to determine the 3D structure of important pepti
Dr. Alfredo Berzal-Herranz
Department of Molecular Biology, Instituto de Parasitología y Biomedicina López-Neyra, (IPBLN-CSIC), PTS Granada, Av del Conocimiento 17, 18016 Granada, Spain
Dr. Alfredo Berzal-Herranz, Biologist. Senior Researcher at the Instituto de Parasitología y Biomedicina López-Neyra” belonging to the Spanish National Research Council (IPBLN-CSIC), Granada, Spain. In April 1990 obtained his Ph.D in Biochemistry and Molecular Biology from the Autónoma University of Madrid, Spain. After a short postdoctoral term at the BMC-Uppsala University (Sweden), he moved to the University of Vermont (USA; Dr. John Burke’s laboratory), where he was involved in the biochemical characterization of ribozymes. Since December 1993 he leads his own research group at the IPBLN-CSIC. He is the author of more than 80 scientific publications. His current scientific interest is the study of the biological activity of the RNA, mainly focusing in the structure/function of conserved functional RNA domains in viral RNA genomes (mainly HIV and HCV and flavivirus), and its potential as antiviral targets; design and characterization of RNA molecules with inhibitory activity (e.g. ribozymes, aptamers, antisense RNAs) a
Dr. Le Thi Song
School of Environmental Science and Engineering, Kochi University of Technology, Tosayamada, Kami, Kochi 782-8502, Japan
My name is Le Thi Song. My scientific research began in the area of Electrochemical and Corrosion Protection during my undergraduate studies at Department of Chemistry at Hanoi University of Science and Technology, Vietnam in 2009. From 2010 to 2012, I worked as master researcher at Interfacial Engineering Lab, Chemical and Biochemical Engineering Department at Dongguk University, Seoul, South Korea. Then in 2013, I became a Ph.D researcher at Kochi University of Technology, Japan under supervision of professor Nagatoshi Nishiwaki and received my Ph.D in organic synthesis in 2015. Then, I worked as a visiting researcher at this university for 1 year. From 2016, I became a research collaborator at Ton Duc Thang University in Vietnam. My research interests comprise not only synthetic organic chemistry using nitro compounds, heterocycles (ring transformation, dinitropyridone, nitroanilines, nitropyridines …), but also superhyrophobic coating, silica thin film, electroplating, corrosion and so on.
Dr. Jong H. Kim
Foodborne Toxin Detection and Prevention Research Unit, Western Regional Research Center, US Department of Agriculture, Albany, California, USA.
Jong H. Kim is a Research Scientist in the Foodborne Toxin Detection and Prevention Research Unit, Western Regional Research Center, US Department of Agriculture, Albany, California, USA. His research focuses on the development of intervention strategies for control of fungal pathogens including mycotoxigenic fungi. He provides chemo-biological expertise, particularly in the identification of cellular targets, mechanisms of action and compound interaction, and participates in resistance management in collaboration with industry and academia.
antifungal; antioxidant system; cell wall integrity; chemosensitization; drug repurposing; drug resistance; filamentous fungi; mitochondrial respiration; mycotoxins; oxidative stress; redox-active; signaling pathway; small molecules; synergism; yeast path
Dr. Alessandro Deplano
Pharmacelera, Plaça Pau Vila, 1, Sector 1, Edificio Palau de Mar, Barcelona 08039, Spain
Dr. Alessandro Deplano is Pharmacelera’s Medicinal/Computational Chemist. He has got a Ph.D. in Medicinal Chemistry at the University of Cagliari, Italy, with a thesis entitled “Design, synthesis and SAR of small molecules acting on pain pathways” under the supervision of Prof. Valentina Onnis. His Ph.D. studies were focused on the design and synthesis of numerous molecules with different structure and specific pharmacological targets, in particular compounds endowed with analgesic activities. He worked also on synthesis of new molecules endowed with carbonic anhydrase inhibitory activity, antiproliferative activities on human cancer cell lines, and molecules endowed with nematicidal activity. He holds a Master degree in Pharmaceutical Chemistry and Technology, at University of Cagliari, which give him a strong background in pharmacology, biology and anatomy, along with organic and medicinal chemistry, field in which he gave his thesis dissertation. During his Ph.D. program he spent a semester at American University of Washington
List of accepted submissions (73)
Impact of different geometrical structures of copper(II) complexes on interactions with bio-relevant nucleophiles under physiological conditions
|Enisa Selimovic Andrei Komolkin Andrei Egorov Tanja Soldatovic||N/A||Show|
Over the past decades, transition metal complexes have attracted considerable attention in medicinal inorganic chemistry, especially as synthetic metallonucleases and metal-based anticancer drugs that are able to bind to DNA under physiological conditions (Pessoa, J.C., et al. J. Inorg. Biochem. 2011, 105, 637-644). Copper(II) complexes offer various potential advantages as antimicrobial, antiviral, anti-inflammatory, antitumor agents, enzyme inhibitors, chemical nucleases, and they are also beneficial against several diseases like copper rheumatoid and gastric ulcers (Fricker, S.P., Dalton Trans. 2007, 43, 4903-4917).
Substitution reactions of square-planar [CuCl2(en)] and square-pyramidal [CuCl2(terpy)] complexes (where en= 1,2-diaminoethane and terpy= 2,2’:6’,2’’- terpyridine) with bio-relevant nucleophiles have been investigated at pH 7.4 in the presence of 0.010 M NaCl. Mechanism of substitution was probed via mole-ratio, kinetic, mass spectroscopy and EPR studies. In the presence of an excess of chloride, the octahedral complex anion [CuCl4(en)]2- forms rapidly while equilibrium reaction was observed for [CuCl2(terpy)]. Different order of reactivity of selected bio-molecules toward Cu(II) complexes was observed. The nature of the buffer just affects the Cu(II) complexes conformational dynamics. According to EPR data L-Methionine forms a most stable complex with [CuCl2(en)] among the bio-ligands considered while [CuCl2(terpy)] complex is very stable and there are no significant changes in its square-pyramidal geometry in the presence of buffers or bio-ligands. The obtained results represent progress in investigation of the mechanism of substitution reactions between Cu(II) complexes and biological relevant nuclepohiles. Also, they provide very useful information for the future design of potential copper-based anticancer drugs (Selimović, E., et al. J. Coord. Chem. 2018, 71(7), 1003-1019).
|Synthesis and Evaluation of New 6-formyl-oxazolo[3,2-a]pyrimidine derivatives as Potential Src Kinase Inhibitors||Jean Guillon François Hallé Solène Savrimoutou Stéphane Moreau Daniel-Henri Caignard Pascal Sonnet||N/A||Show|
The tyrosine-protein kinase Src, also known as proto-oncogene c-Src or simply c-Src, is a non-receptor tyrosine kinase protein that has been shown to be involved in the regulation of important cellular processes including migration, survival and proliferation. In fact, Src activation has been associated with multiple cancers, such as colon, breast, pancreas, lung, or brain (Roskoski, R. Jr. Pharmacol. Res. 2015, 94, 9-25; Creedon, H., et al., Crit. Rev. Oncog. 2012, 17, 145-159). There are only few Src inhibitors in clinical development, therefore, there is an urgent need to identify new low molecular weight therapeutics able to inhibit Src and, thus, to modulate aberrant pathways leading to malignant transformation of cells (Lu, X.L., et al., Curr. Med. Chem. 2012, 19, 1821-1829). Heterocyclic compounds attracted a lot of attention because of their wide spread biological activities. Thus, we have previously reported the synthesis of biological active heterocyclic derivatives based on the reactivity of the amidine moiety of 2-amino-2-oxazolines 2 with bis-electrophiles (Massip, S., et al., Bioorg. Med. Chem. 2006, 14, 2697-2719).
In a preliminary screening testing our heterocycles library, we have identified a “hit” (compound 1d) derived from various substituted 6-formyl-oxazolo[3,2-a]pyrimidines as a new Src kinase inhibitor (IC50 = 4 µM). These original oxazolo[3,2-a]pyrimidine derivatives 1a-k were synthesized through a Diels-Alder cycloaddition of alkylidene derivatives of 2-amino-2-oxazoline (compounds 3a-k) with acrolein, as an electron-poor dienophile, a reaction previously described by our group (Guillon, J., et al., Synlett 2002, 8, 1249-1252). Versatility given by this reaction allowed us to access a promising family of diversely substituted 6-formyl-oxazolo[3,2-a]pyrimidines with inhibitory effect on Src kinase.
Acknowledgments: This work was supported by a grant from Ligue Contre le Cancer (Gironde, Bordeaux, France).
|The effects of polar and non polar compounds from endophytic actinomycetes in Ocmium tenuiflorum (Tulsi) and Azadirachta indica (Neem) on veterinary and human pathogens||Fatima Nawaz Rabia Tanvir Muhammad Nawaz Aqeel Javeed Imran Sajid||N/A||Show|
Ocmium teniflorum (Local name: Tulsi, Family: Lamiaceae) is a plant well known for its medicinal uses in unani and ayuveda medicine. It is called the ‘queen of herbs’ for its antimicrobial, antiinflammatory, hypotensive, hypoglycemic antipyretic and analgesic activities. Azadirachta indica (Local name: Neem, Family: Meliaceae) is a medicinal plant best known for its antimicrobial, antiinflammatory, anticancer and antiviral activities. It is a fact that the individual exudates of each plant attract a specific species of microbes and induce them to produce possible novel compounds under the influence of the plant environment. With this idea in mind, we investigated the antimicrobial activity of endophytic actinomycetes inhabiting tulsi and neem plants. The preliminary screening was done using agar plug method and it displayed 12 isolates with prominent bioactivity. Further biological screening of their active metabolites showed that the compounds were most active against Salmonella enteritidis, Campylobacter jejuni and Proteus mirabilis. The thin layer chromatography (TLC) and high performance liquid chromatography-UV (HPLC-UV) displayed UV absorbing polar and non polar compounds. Our study reveals tulsi and neem plant microenvironment as an unexplored niche harboring endophytes that are prominently bioactive against multidrug resistant (MDR) poultry and human pathogens.
|New prenylchalcones targeting the MDM2-p53 protein-protein interaction: synthesis and evaluation of antitumor activity||Pedro Brandão Joana Loureiro Sylvie Carvalho Meriem Hamadou Sara Cravo Joana Moreira Daniela Pereira Madalena Pinto Honorina Cidade||N/A||N/A||Show|
Among the chemical world of flavonoids, prenylated derivatives have been attracting the attention because of the myriad of their biological activities, with chalcones being widely reported for their antitumor activity against a variety of tumor cell lines . In fact, it has been demonstrated that isoprenylation of flavonoids significantly increased their growth inhibitory effect on human tumor cell lines . A series of prenylchalcones was synthesized and evaluated for the ability to inhibit the MDM2-p53 interaction using a yeast-based assay . The capacity of all synthesized prenylchalcones and their non-prenylated precursors to inhibit the growth of human colon tumor HCT116 cells was evaluated and compared . The overall results led to the identification of a hit compound, which behaved as potential inhibitor of the MDM2-p53 interaction in yeast, and showed improved cytotoxicity against human tumor cells expressing wild-type p53. In HCT116 cancer cells, it was also shown that the growth inhibitory effect of this prenylchalcone was associated with the induction of cell cycle arrest, and apoptosis.
This research was partially supported by the Strategic Funding UID/Multi/04423/2013 and UID/MULTI/04378/2013 through national funds provided by FCT and ERDF, in the framework of the programme PT2020, the projects POCI-01-0145-FEDER-028736, PTDC/MAR-BIO/4694/2014 (reference POCI-01-0145-FEDER-016790; Project 3599–PPCDT), PTDC/AAGTEC/0739/2014 (reference POCI-01-0145-FEDER-016793; Project 9471–PPCDT), and PTDC/DTPFTO/1981/2014 (reference POCl-01-0145-FEDER-016581), as well as by the project INNOVMAR - Innovation and Sustainability in the Management and Exploitation of Marine Resources (reference NORTE-01-0145-FEDER-000035, within Research Line NOVELMAR), supported by North Portugal Regional Operational Programme (NORTE 2020), under the PORTUGAL 2020 Partnership Agreement, through the European Regional Development Fund (ERDF).
|Antiproliferative activity of steroidal oxime and its O-alkylated derivatives||Jovana Ajduković Marija Filipović Milana Perković Elizabeta Stanić Dimitar Jakimov||N/A|