A. Kiselev, S. Freund, S. Shtykalova, A. Kislova, M. Maretina, A. Egorova
{"title":"Study of physicochemical, toxic, and transfection properties of siRNA-polyplexes stabilized by anionic peptides","authors":"A. Kiselev, S. Freund, S. Shtykalova, A. Kislova, M. Maretina, A. Egorova","doi":"10.3390/ecmc2021-11543","DOIUrl":"https://doi.org/10.3390/ecmc2021-11543","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78785847","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}
A. Preto, A. Brás, P. Fernandes, Tiago Moreira, A. Valente
Colorectal cancer (CRC) is one of the most lethal cancers worldwide, however it has limited chemotherapeutic agents available. CRC harboring KRAS and BRAF mutations are correlated with resistance to EGFR inhibitors what constitutes a relevant clinical problem. Ruthenium (Ru) drugs had arisen as one of the most promising metallodrugs with features that increase their specificity and selectivity toward cancer cells. Recently, a new family of Ru-cyclopentadienyl conjugates was designed using macromolecules and/or biomolecules. Here, we aimed to study the effect of these new Ru conjugates in CRC cells in order to study the potential increase in selectivity and efficiency in CRC cells. In this work, we used two CRC-derived cell lines with KRAS and BRAF mutations and a normal colon cell line to study cellular cytotoxicity, antiproliferative activity, cell death mechanism, intracellular distribution, MAPK-ERK and PI3K-AKT signaling pathways and actin cytoskeleton effects of the compounds. Our results revealed that Ru agents are more cytotoxic for CRC cells, induce cell cycle arrest, decrease the ability of cells to proliferate, induce apoptosis and preferentially localize in membrane and cytoskeleton of CRC cells. Ru agents also affect F-actin polymerization and MAPK-ERK and PI3K-AKT signaling pathways. Overall, our results showed that Ru compounds present promising anticancer activity in CRC cells, mainly in KRAS mutated cell lines, what could bring new avenues in CRC therapy.
{"title":"New ruthenium-cyclopentadienyl agents as a new strategy to fight colorectal cancer","authors":"A. Preto, A. Brás, P. Fernandes, Tiago Moreira, A. Valente","doi":"10.3390/ecmc2021-11457","DOIUrl":"https://doi.org/10.3390/ecmc2021-11457","url":null,"abstract":"Colorectal cancer (CRC) is one of the most lethal cancers worldwide, however it has limited chemotherapeutic agents available. CRC harboring KRAS and BRAF mutations are correlated with resistance to EGFR inhibitors what constitutes a relevant clinical problem. Ruthenium (Ru) drugs had arisen as one of the most promising metallodrugs with features that increase their specificity and selectivity toward cancer cells. Recently, a new family of Ru-cyclopentadienyl conjugates was designed using macromolecules and/or biomolecules. Here, we aimed to study the effect of these new Ru conjugates in CRC cells in order to study the potential increase in selectivity and efficiency in CRC cells. In this work, we used two CRC-derived cell lines with KRAS and BRAF mutations and a normal colon cell line to study cellular cytotoxicity, antiproliferative activity, cell death mechanism, intracellular distribution, MAPK-ERK and PI3K-AKT signaling pathways and actin cytoskeleton effects of the compounds. Our results revealed that Ru agents are more cytotoxic for CRC cells, induce cell cycle arrest, decrease the ability of cells to proliferate, induce apoptosis and preferentially localize in membrane and cytoskeleton of CRC cells. Ru agents also affect F-actin polymerization and MAPK-ERK and PI3K-AKT signaling pathways. Overall, our results showed that Ru compounds present promising anticancer activity in CRC cells, mainly in KRAS mutated cell lines, what could bring new avenues in CRC therapy.","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78975447","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}
M. Lucas, D. Ribeiro, M. Freitas, J. Sousa, Artur M. S. Silva, E. Fernandes
{"title":"The impact of B-ring substituents on the styrylchromones' ability to modulate the levels of reactive prooxidant species","authors":"M. Lucas, D. Ribeiro, M. Freitas, J. Sousa, Artur M. S. Silva, E. Fernandes","doi":"10.3390/ecmc2021-11521","DOIUrl":"https://doi.org/10.3390/ecmc2021-11521","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"69 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79967502","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}
C. Stecoza, G. Nițulescu, C. Draghici, M. Cǎproiu, O. Olaru, M. Bostan, M. Mihaila
{"title":"New 1,3,4-oxadiazole derivatives and their role in tumor processes","authors":"C. Stecoza, G. Nițulescu, C. Draghici, M. Cǎproiu, O. Olaru, M. Bostan, M. Mihaila","doi":"10.3390/ecmc2021-11475","DOIUrl":"https://doi.org/10.3390/ecmc2021-11475","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77361314","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}
3 Abstract: The interactions of blood and joint components with the material of implants used in orthopedics are crucial. Orthopedic implants are widely used in knee and joint replacement surgeries. Ideally, implant surfaces should enhance osteoblast functions and simultaneously inhibit microbial infection, however, unfavourable serum protein-material interactions may cause clinically intractable infections and implant failure. Despite several attempts to overcome such consequences to physicochemical properties of materials, implant failures do exist significantly. Therefore, profiling molecular-level interactions between human serum proteins and implant material is vital in subsequent protein-material behaviour. Graphene oxide (GO) is one such orthopedic implant material that has been gaining attention in bio-tribology. Present molecular docking simulations report the interacting behavior of serum albumin (SA) and chondroadherin (CHAD) with the GO-based orthopedic implant coating. It was aimed to elucidate binding affinities and molecular-level interactions at the proteins-material interface. Considering the most stable conformations, the strongest binding affinities of SA-GO and CHAD-GO interactions were calculated to be - 10.3 kcal/ mol and -12.3 kcal/ mol respectively. Analysis of all binding modes showed that CHAD has the highest overall affinity towards GO. Root mean square deviation was consistent with the modes. Only conventional hydrogen bonding was predominant in SA-GO complex while CHAD-GO complex is heavily influenced by both the hydrogen bonding and hydrophobic interactions involving π orbitals. Though CHAD seems competitive, it developed steric hindrance at the interacting surface while there were no such effects with SA interactions at the GO surface. These interaction trends establish the requirement for experimental analysis.
{"title":"Serum albumin and chondroadherin interact with graphene oxide coating of orthopedic implant; computational insights","authors":"Sivanujan Suthaharan, Sangeerthana Mohan, Aastha Manandhar","doi":"10.3390/ecmc2021-11523","DOIUrl":"https://doi.org/10.3390/ecmc2021-11523","url":null,"abstract":"3 Abstract: The interactions of blood and joint components with the material of implants used in orthopedics are crucial. Orthopedic implants are widely used in knee and joint replacement surgeries. Ideally, implant surfaces should enhance osteoblast functions and simultaneously inhibit microbial infection, however, unfavourable serum protein-material interactions may cause clinically intractable infections and implant failure. Despite several attempts to overcome such consequences to physicochemical properties of materials, implant failures do exist significantly. Therefore, profiling molecular-level interactions between human serum proteins and implant material is vital in subsequent protein-material behaviour. Graphene oxide (GO) is one such orthopedic implant material that has been gaining attention in bio-tribology. Present molecular docking simulations report the interacting behavior of serum albumin (SA) and chondroadherin (CHAD) with the GO-based orthopedic implant coating. It was aimed to elucidate binding affinities and molecular-level interactions at the proteins-material interface. Considering the most stable conformations, the strongest binding affinities of SA-GO and CHAD-GO interactions were calculated to be - 10.3 kcal/ mol and -12.3 kcal/ mol respectively. Analysis of all binding modes showed that CHAD has the highest overall affinity towards GO. Root mean square deviation was consistent with the modes. Only conventional hydrogen bonding was predominant in SA-GO complex while CHAD-GO complex is heavily influenced by both the hydrogen bonding and hydrophobic interactions involving π orbitals. Though CHAD seems competitive, it developed steric hindrance at the interacting surface while there were no such effects with SA interactions at the GO surface. These interaction trends establish the requirement for experimental analysis.","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"38 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81039171","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}
P. Rijo, E. Domínguez-Martín, M. Santos Filipe, E. Ntungwe, Andreia A Rosatella, E. Jiménez, A. Díaz-Lanza
{"title":"Phytochemical and bioactivity studies from Plectranthus hadiensis varieties","authors":"P. Rijo, E. Domínguez-Martín, M. Santos Filipe, E. Ntungwe, Andreia A Rosatella, E. Jiménez, A. Díaz-Lanza","doi":"10.3390/ecmc2021-11563","DOIUrl":"https://doi.org/10.3390/ecmc2021-11563","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82050559","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}
Fabio Costa, Marieta L. C. Passos, Maria Lúcia Saraiva
{"title":"Evolution of antimicrobial resistance during the last decade in the European Union","authors":"Fabio Costa, Marieta L. C. Passos, Maria Lúcia Saraiva","doi":"10.3390/ecmc2021-11451","DOIUrl":"https://doi.org/10.3390/ecmc2021-11451","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"38 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84162998","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":"Influence of solvents and techniques for extraction of phenolic phytochemicals linked with antioxidant and enzyme inhibition potential of Ocimum tenuiflorum Linn","authors":"B. Sarkar, Amrita chatterjee, P. Deb","doi":"10.3390/ecmc2021-11461","DOIUrl":"https://doi.org/10.3390/ecmc2021-11461","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"25 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90550766","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}
A. Kesić, Jovana V. Bogojeski, I. Raković, I. Radojević
{"title":"Biological studies of organoselenium trans-palladium(II) complexes","authors":"A. Kesić, Jovana V. Bogojeski, I. Raković, I. Radojević","doi":"10.3390/ecmc2021-11448","DOIUrl":"https://doi.org/10.3390/ecmc2021-11448","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"63 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91401321","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}
A. Otmani, M. Araújo, N. Amessis-Ouchemoukh, S. Ouchemoukh
{"title":"Evaluation of the inhibitory activities of acetylcholinesterase, α-glucosidase, pancreatic lipase and tyrosinase by phenolic extracts of honey","authors":"A. Otmani, M. Araújo, N. Amessis-Ouchemoukh, S. Ouchemoukh","doi":"10.3390/ecmc2021-11556","DOIUrl":"https://doi.org/10.3390/ecmc2021-11556","url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88439524","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}
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