Proceedings of 5th International Electronic Conference on Medicinal Chemistry最新文献

{"title":"In the search of new xanthine oxidase inhibitors: 3-Phenylcoumarins versus 2-phenylbenzofurans","authors":"M. Matos, B. Era, G. Delogu, F. Pintus, A. Fais","doi":"10.3390/ecmc2019-06310","DOIUrl":"https://doi.org/10.3390/ecmc2019-06310","url":null,"abstract":"Xanthine oxidase (XO) is an enzyme that catalyzes the oxidation of hypoxanthine to xanthine, and this one to uric acid. This process reduces molecular oxygen to O2. Hydroxyl free radicals and hydrogen peroxide, both of which are byproducts of XO activity, can caused oxidative stress in human cells. Overproduction of uric acid in the body leads to hyperuricemia, which is also linked with gout. Uric production in the body can be lowered by XO inhibitors. Inhibition of XO has also been proposed as a mechanism for improving cardiovascular health. Therefore, the search for new efficient XO inhibitors is an interesting topic in drug discovery. 3-Phenylcoumarins and 2-phenylbenzofurans are privileged scaffolds in Medicinal Chemistry. Their structural similarity makes them interesting molecules for a comparative work. Methoxy and nitro substituents were introduced in both scaffolds. A preliminary study gives some insights into the synthesis and biological activity of these molecules against this important target. In general, the studied 3-phenylcoumarins proved to be better XO inhibitors than the similarly substituted 2-phenylbenzofurans. Further studies are still needed to optimize the structure and increase the potential of these molecules as XO inhibitors for the treatment of gout.","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"43 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"117221895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of silica nanoparticles for 1H MRI and optical imaging","authors":"I. Ternad, Sarah Garifo, S. Laurent, D. Stanicki, S. Boutry, L. Larbanoix, R. Muller","doi":"10.3390/ecmc2019-06325","DOIUrl":"https://doi.org/10.3390/ecmc2019-06325","url":null,"abstract":"","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125894012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New chalcone derivatives with suitable drug-like lipophilicity targeting mitosis","authors":"H. Bousbaa, H. Cidade, P. Pinto, C. Machado, J. Moreira, José Diogo P. Almeida, Patrícia M. A. Silva, Ana C. Henrique, José X. Soares, J. Salvador, C. Afonso, M. Pinto","doi":"10.3390/ecmc2019-06311","DOIUrl":"https://doi.org/10.3390/ecmc2019-06311","url":null,"abstract":"","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131585717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and molecular docking studies of new potential PKC-δ activators based on royleanone scaffold","authors":"P. Rijo, V. Isca, E. Ntungwe, J. Tavares, F. Siopa, J. Almeida, L. Saraíva, M. Mori, M. Botta, C. Afonso","doi":"10.3390/ecmc2019-06297","DOIUrl":"https://doi.org/10.3390/ecmc2019-06297","url":null,"abstract":"The huge impact of cancer is a big concern nowadays. Protein Kinases (PKCs) are attractive anticancer targets due to their involvement in several processes of carcinogenesis. Particularly, the isoform δ (PKC-δ) acts as tumor suppressor in colon cancer, one of the most dominant cancers and cause of cancer mortality worldwide. Promising bioactive molecules were found in Plectranthus genus, mainly diterpene royleanones. The 7α-acetoxy-6β-hydroxyroyleanone (Roy) is the major constituent of P. grandidentatus. Several biological activities of Roy were reported in the literature, including antitumoral activity. Moreover, the presence of two free hydroxyl groups in Roy structure drawn our attention to the possibility of preparing new derivatives with enhanced cytotoxic activity. In fact, in a previous work, the patented diterpene 6β-benzoyloxy-12-Obenzoylroyleanone (RoyBz) shown selective activation of PKC-δ. The aim of the present work is to prepare new potential PKC-δ activators from derivatization of Roy. Thus, Roy and RoyBz assisted the design of theoretical derivatives, through modification of the hydroxyl groups. Molecular docking simulations were carried out against the 3D structure of human PKC-δ regulatory domain, to identify the potential PKC-δ activators. The most promising compounds accepted by docking simulations are currently been prepared by hemi-synthesis using Roy as starting material for structure-activity relationships.","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115467274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Antibacterial activity of apigenin, luteolin, and their C-glucosides","authors":"T. Karpiński, A. Adamczak, M. Ożarowski","doi":"10.3390/ecmc2019-06321","DOIUrl":"https://doi.org/10.3390/ecmc2019-06321","url":null,"abstract":"Apigenin (4′,5,7-trihydroxyflavone) and luteolin (3′,4′,5,7-tetrahydroxyflavone) are among the most widely distributed flavone aglycones in flowering plants. These metabolites often occur in the form of Oand C-glycosides. In this group, four C-glucosides pay special attention: vitexin (apigenin 8-C-glucoside) and isovitexin (apigenin 6-Cglucoside) as well as orientin (luteolin 8-C-glucoside) and isoorientin (luteolin 6-C-glucoside). The above-mentioned compounds show various biological activities, including antioxidant, anti-inflammatory, cardioprotective, neuroprotective, hepatoprotective, immunomodulatory, and anticancer effects. The aim of the present work was to determine the antibacterial activity of these flavones. In the in vitro tests, there were investigated clinical strains of two Gram-positive (Staphylococcus aureus, Enterococcus faecalis) and Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa). The antimicrobial activity of chosen substances was determined by the micro-dilution method according to recommendations of the Clinical and Laboratory Standards Institute (CLSI). Curcumin was used as a positive control. Our results exhibited a relatively low sensitivity of the tested strains to the plant metabolites. In the case of curcumin – natural compound with known strong antibacterial effect, the minimal inhibitory concentration (MIC) for all species of bacteria was 500 μg/mL. The same level of biological activity was observed for apigenin, luteolin, and their glucosides against E. coli and P. aeruginosa. Among Gram-positive bacteria, the obtained results showed significant variability. Strains of S. aureus demonstrated a weak sensitivity to apigenin (MIC = 500-1000 μg/mL), and were resistant to its derivatives: vitexin and isovitexin (> 1000 μg/mL). Additionally, these compounds poorly inhibited the growth of E. faecalis (1000 μg/mL). In turn, luteolin and its C-glucosides (orientin, isoorientin) reached the same values of the MICs: moderate against S. aureus (500 μg/mL) and weak for E. faecalis (1000 μg/mL). Our research points to the problem of varied sensitivity and even resistance of some clinical strains of common pathogens to the widespread natural plant compounds, such as flavonoids and other phenolics (e.g., curcumin). It is interesting that apigenin, luteolin, and their C-glucosides were generally more potent against Gram-negative bacteria than Gram-positive ones. A pair of analysed flavone aglycones has a very similar chemical structure, and they did not differ significantly in the antibacterial activity. Similarly, the presence and location of the sugar group in the flavone glucosides usually did not affect the values of the MICs.","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"52 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114103932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anticancer Hybrid Combinations with phenolic compounds","authors":"Eva María Domínguez Martín, A. M. D. Lanza, P. Rijo, C. Faustino","doi":"10.3390/ecmc2019-06319","DOIUrl":"https://doi.org/10.3390/ecmc2019-06319","url":null,"abstract":"Different types of treatments are being employed to overcome cancer, which is characterized by abnormal cell growth involving cell division without control. However, their usually lack of selectivity and the development of resistance result in limited efficacy or ineffectiveness of the therapies. For these reasons, seeking new treatment options for this disease is necessary. Nowadays, the acknowledge bioactive properties of some secondary metabolites such as polyphenols, have made antitumour hybrid combinations a promising therapeutic approach.\u0000This work aims to provide a synopsis into Anticancer Hybrid Combinations involving phenolic compounds, focusing on their multi-target mechanisms of action and synergistic effects.\u0000These combinations consist on the therapeutic mixture of synthetic drugs with chemically defined constituents from plants (secondary metabolites, in this case, phenolic compounds) aiming to increase the pharmacological activity of the formulation and simultaneously reduce the toxic side-effects of the drugs, interaction known as synergy.\u0000Antitumour hybrid combinations are a promising therapeutic strategy to minimize adverse effects and to reduce cancer resistance to different treatments. At the same time, it shows selectivity to tumour cells and potentiate the activity of the drug that make them an interesting option to cure cancer.\u0000References: [1] Dominguez-Martin EM, Diaz-Lanza AM, Faustino CMC (2018) Curr Pharm Des 24, 4312-4333.[2] Wagner H, Efferth T. (2017) Phytomedicine, 37, 1-3.[3] Mahbub AA, Le Maitre CL, Haywood-Small S, Cross NA, Nicola Jordan-Mahy N (2019) Oncotarget 10, 4570-86[4] Zhong C, Qiu S, Li J, Shen J, Zu Y, Shi J, Sui G (2019) Phytomedicine 59, 152921","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"117013213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The anti-herpetic activity of fluorine-containing compounds based on β-D-glucopyranose","authors":"L. Biliavska, Yulia Pankivska, O. Povnitsa, Yu. G. Shermolovich, S. Zagorodnya","doi":"10.3390/ecmc2019-06338","DOIUrl":"https://doi.org/10.3390/ecmc2019-06338","url":null,"abstract":"The diseases caused by Herpes Simplex Virus 1 (HSV-1) are widely spread. The shortage of antiviral compounds due to their high toxicity and emergence of resistant viruses is a major problem in the treatment of patients. This work is related to the determination of the antiviral activity of new fluorine containing derivatives against HSV-1. Cytotoxicity and anti-herpetic activity of compounds 10S-25 (1-S-thio-(1methylsulfonyl-2difluoromethyl-vinyl)-2,3,4,6,-tetra-O-acetyl-β-D-glucopyranose) and 10S-27 1-(β-Dglucopyranosyl)-4-(hexafluoropropyl)-5-tosyl-1H-1,2,3-triazole) were studied using MTT assay. To sort the compounds, four experimental procedures were used: co-incubation of compounds and HSV-1, addition of compounds during virus adsorption and penetration, addition of compounds post-infection. The antiviral activity was assessed using real-time PCR and virus yield reduction assay. Compounds 10S-25 and 10S-27 demonstrated high toxicity for cells and their IC50 values were 13 and 250 μg/ml, respectively. It was determined, that only 10S-27 inhibited the formation CPE of the HSV-1 (EC50 value 48 μg/ml). The absence of virucidal activity and prevention of the adsorption and penetration of HSV-1 into cells were shown for this compound. But in the presence of 10S-27 in higher concentration, HSV-1 DNA replication was inhibited and the viral DNA copy number was reduced to 38 %. Moreover, it was found that 10S-27 in concentrations 4 150 μg/ml reduced the titer of the virus obtained de novo by 39 98%. Taken together, our results showed that 10S-27 possesses an anti-HSV-1 activity at non-toxic concentrations with multiple mechanisms, but further investigation is needed to explore this action in detail.","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131286651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemicals and in vitro antioxidant studies of Daucus carota L. seed extracts","authors":"H. Tijjani, A. Mohammed, A. Adegunloye","doi":"10.3390/ecmc2019-06278","DOIUrl":"https://doi.org/10.3390/ecmc2019-06278","url":null,"abstract":"Daucus carota seeds are important in the treatment of a broad spectrum of ailments. This study evaluated the phytochemicals status and in vitro antioxidant effects of aqueous and diethyl ether extracts of D. carota seed. 50 g of D. carota seeds were pulverized and dissolved in 200 ml distilled water for 24 hours, the crude aqueous extract obtained (AQE, 11.05g, 22.1% yield) was partition in water/diethyl ether (2:1) to yield the diethyl ether fraction (DEE, 0.45g, 0.90% yield). The extracts were evaluated for quantitative phytochemicals, 2,2-diphenyl-1-picrylhydrazyl (DPPH), total antioxidant capacity and ferric ion reducing effect at 0.4 to 2.0 mg/ml. AQE and DEE contain alkaloids (7.28%, 5.22%), flavonoids (5.56%, 4.03%), saponins (4.68%, 1.52%), steroids (3.23%, 2.71%), tannins (0.40%, 0.27%) and phenol (0.37%, 0.22%) respectively. The DPPH scavenging effect of the extracts was superior to the reference compound butylated hydroxytolune (BHT) with IC50 of 2.84 mg/ml compared to AQE with 2.00 mg/ml and DEE with 1.39 mg/ml respectively. AQE extract when compared with BHT had similar total antioxidant capacity while BHT was significantly (p<0.05) higher than DEE. However, both AQE and DEE express better ferric ion reducing effect compared to BHT at the concentrations range. The results shows that aqueous and diethyl ether extracts of D. carota seed possess good in vitro radical scavenging activities with presence of higher phytochemical content in the aqueous extract.","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"19 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126930572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Antimicrobial activity of extract of strawberry of different quality against antibiotic-resistant Staphylococcus aureus","authors":"Jeanette Guadalupe Valdovinos, P. D. Lara, H. G. M. Violante, M. Perez","doi":"10.3390/ecmc2019-06309","DOIUrl":"https://doi.org/10.3390/ecmc2019-06309","url":null,"abstract":"","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"69 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127767314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of administration of aqueous extracts of Securidaca longepedunculata stem barks on enzymes of the small intestine alloxan-induced diabetic rats","authors":"Oluwaferanmi Adefolaju, Julius Arannilewa, A. Olowo","doi":"10.3390/ecmc2019-06276","DOIUrl":"https://doi.org/10.3390/ecmc2019-06276","url":null,"abstract":"ABSTRACTThe stem barks of Securidaca longepedunculata are used traditionally across Africa for the treatment of diabetes, cancer, metabolic diseases and asthma. This study was aimed at investigating the potential enzyme activities of the S. longepedunculata on the small intestine. Aqueous extracts of S. longepedunculata were tested in vivo on animal models: A total of 12 Wister rats were assigned into four (I–IV) groups of three animals each. Group I served as the control and was administered 0.5mL of distilled water. Groups II–IV were given 0.5, 1 and 2mg/kg body weight of S. longepedunculata stem bark extracts. The activities of the following enzymes, Alanine transaminase (ALT), Lactate dehydrogenase (LDH), Alkaline phosphatase (ALP), Aspartate transaminase (AST), were assayed in the small intestine. The result revealed a significant reduction in ALP and LDH. This gives an indication that the administration of aqueous extract of securidaca longepedunculata can elicit detrimental effect in the small intestine of the albino rat. Also the result obtained in the qualitative analysis shows the presence of phytochemicals such as: saponin, flavonoid and terpernoid.","PeriodicalId":312909,"journal":{"name":"Proceedings of 5th International Electronic Conference on Medicinal Chemistry","volume":"47 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131719667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}