Natural distribution, structures, synthesis, and bioactivity of hasubanan alkaloids
ChemMedChem. 2024 Mar 19:e202300721. doi: 10.1002/cmdc.202300721. Online ahead of print.ABSTRACTHasubanan alkaloids represent a distinct class of alkaloids bearing a structural resemblance to morphine, predominantly found in herbals of the Stephania genus. Their intriguing molecular architecture and potential analgesic properties have captured the interest of medicinal chemists worldwide. This review meticulously examines the natural distribution, structural characteristics, biosynthetic pathways, synthetic methodologies, and biological activities of hasubanans.PMID:38503694 | DOI:10.1002/cmdc.202300721 (Source: ChemMedChem)
Source: ChemMedChem - March 19, 2024 Category: Chemistry Authors: Yingjie Wang Fuxin Sun Yapeng Liang Di Zhou Gang Chen Ning Li Source Type: research

Iodinated 4,4'-bipyridines with antiproliferative activity against melanoma cell lines
ChemMedChem. 2024 Mar 15:e202300662. doi: 10.1002/cmdc.202300662. Online ahead of print.ABSTRACTIn the last decade, biological processes involving halogen bond (HaB) as a leading interaction attracted great interest. However, although bound iodine atoms are considered powerful HaB donors, few iodinated new drugs were reported so far. Recently, iodinated 4,4'-bipyridines showed interesting properties as HaB donors in solution and in the solid state. In this paper, a study on the inhibition activity of seven halogenated 4,4'-bipyridines against malignant melanoma (MM) cell proliferation is described. Explorative dose/respons...
Source: ChemMedChem - March 15, 2024 Category: Chemistry Authors: Paola Peluso Victor Mamane Ylenia Spissu Giuseppina Casu Alessandro Dess ì Roberto Dallocchio Barbara Sechi Giuseppe Palmieri Carla Rozzo Source Type: research

Iodinated 4,4'-bipyridines with antiproliferative activity against melanoma cell lines
ChemMedChem. 2024 Mar 15:e202300662. doi: 10.1002/cmdc.202300662. Online ahead of print.ABSTRACTIn the last decade, biological processes involving halogen bond (HaB) as a leading interaction attracted great interest. However, although bound iodine atoms are considered powerful HaB donors, few iodinated new drugs were reported so far. Recently, iodinated 4,4'-bipyridines showed interesting properties as HaB donors in solution and in the solid state. In this paper, a study on the inhibition activity of seven halogenated 4,4'-bipyridines against malignant melanoma (MM) cell proliferation is described. Explorative dose/respons...
Source: ChemMedChem - March 15, 2024 Category: Chemistry Authors: Paola Peluso Victor Mamane Ylenia Spissu Giuseppina Casu Alessandro Dess ì Roberto Dallocchio Barbara Sechi Giuseppe Palmieri Carla Rozzo Source Type: research

Iodinated 4,4'-bipyridines with antiproliferative activity against melanoma cell lines
ChemMedChem. 2024 Mar 15:e202300662. doi: 10.1002/cmdc.202300662. Online ahead of print.ABSTRACTIn the last decade, biological processes involving halogen bond (HaB) as a leading interaction attracted great interest. However, although bound iodine atoms are considered powerful HaB donors, few iodinated new drugs were reported so far. Recently, iodinated 4,4'-bipyridines showed interesting properties as HaB donors in solution and in the solid state. In this paper, a study on the inhibition activity of seven halogenated 4,4'-bipyridines against malignant melanoma (MM) cell proliferation is described. Explorative dose/respons...
Source: ChemMedChem - March 15, 2024 Category: Chemistry Authors: Paola Peluso Victor Mamane Ylenia Spissu Giuseppina Casu Alessandro Dess ì Roberto Dallocchio Barbara Sechi Giuseppe Palmieri Carla Rozzo Source Type: research

Iodinated 4,4'-bipyridines with antiproliferative activity against melanoma cell lines
ChemMedChem. 2024 Mar 15:e202300662. doi: 10.1002/cmdc.202300662. Online ahead of print.ABSTRACTIn the last decade, biological processes involving halogen bond (HaB) as a leading interaction attracted great interest. However, although bound iodine atoms are considered powerful HaB donors, few iodinated new drugs were reported so far. Recently, iodinated 4,4'-bipyridines showed interesting properties as HaB donors in solution and in the solid state. In this paper, a study on the inhibition activity of seven halogenated 4,4'-bipyridines against malignant melanoma (MM) cell proliferation is described. Explorative dose/respons...
Source: ChemMedChem - March 15, 2024 Category: Chemistry Authors: Paola Peluso Victor Mamane Ylenia Spissu Giuseppina Casu Alessandro Dess ì Roberto Dallocchio Barbara Sechi Giuseppe Palmieri Carla Rozzo Source Type: research

Discovery of Potent Isoindolinone Inhibitors That Target an Active Conformation of PARP1 Using DNA-Encoded Libraries
ChemMedChem. 2024 Mar 14:e202400093. doi: 10.1002/cmdc.202400093. Online ahead of print.ABSTRACTInhibition of poly (ADP-ribose) polymerase-1 (PARP1), a DNA repair enzyme, has proven to be a successful strategy for the treatment of various cancers. With the appropriate selection conditions and protein design, DNA-encoded library (DEL) technology provides a powerful avenue to identify small molecules with the desired mechanism of action towards a target of interest. However, DNA-binding proteins, such as PARP1, can be challenging targets for DEL screening due to non-specific protein-DNA interactions. To overcome this, we des...
Source: ChemMedChem - March 14, 2024 Category: Chemistry Authors: Kelly A McCarthy Douglas J Marcotte Sangram Parelkar Crystal L McKinnon Lindsay E Trammell Eric L Stangeland Rachael R Jetson Source Type: research

Discovery of Potent Isoindolinone Inhibitors That Target an Active Conformation of PARP1 Using DNA-Encoded Libraries
ChemMedChem. 2024 Mar 14:e202400093. doi: 10.1002/cmdc.202400093. Online ahead of print.ABSTRACTInhibition of poly (ADP-ribose) polymerase-1 (PARP1), a DNA repair enzyme, has proven to be a successful strategy for the treatment of various cancers. With the appropriate selection conditions and protein design, DNA-encoded library (DEL) technology provides a powerful avenue to identify small molecules with the desired mechanism of action towards a target of interest. However, DNA-binding proteins, such as PARP1, can be challenging targets for DEL screening due to non-specific protein-DNA interactions. To overcome this, we des...
Source: ChemMedChem - March 14, 2024 Category: Chemistry Authors: Kelly A McCarthy Douglas J Marcotte Sangram Parelkar Crystal L McKinnon Lindsay E Trammell Eric L Stangeland Rachael R Jetson Source Type: research

Medical Applications of Silver and Gold Nanoparticles and Core-shell Nanostructures Based on Silver or Gold Core: Recent Progress and Innovations
ChemMedChem. 2024 Mar 13:e202300672. doi: 10.1002/cmdc.202300672. Online ahead of print.ABSTRACTNanoparticles (NPs) of noble metals such as silver (Ag NPs) or gold (Au NPs) draw the attention of scientists looking for new compounds to use in medical applications. Scientists have used metal NPs because of their easy preparation, biocompatibility, ability to influence the shape and size or modification, and surface functionalization. However, to fully use their capabilities, both the benefits and their potential threats should be considered. One possibility to reduce the potential threat and thus prevent the extinction of th...
Source: ChemMedChem - March 13, 2024 Category: Chemistry Authors: Kowalska Agata Adamska Elzbieta Beata Grobelna Source Type: research

Medical Applications of Silver and Gold Nanoparticles and Core-shell Nanostructures Based on Silver or Gold Core: Recent Progress and Innovations
ChemMedChem. 2024 Mar 13:e202300672. doi: 10.1002/cmdc.202300672. Online ahead of print.ABSTRACTNanoparticles (NPs) of noble metals such as silver (Ag NPs) or gold (Au NPs) draw the attention of scientists looking for new compounds to use in medical applications. Scientists have used metal NPs because of their easy preparation, biocompatibility, ability to influence the shape and size or modification, and surface functionalization. However, to fully use their capabilities, both the benefits and their potential threats should be considered. One possibility to reduce the potential threat and thus prevent the extinction of th...
Source: ChemMedChem - March 13, 2024 Category: Chemistry Authors: Kowalska Agata Adamska Elzbieta Beata Grobelna Source Type: research

Targeted Redox Balancing through Pulmonary Nanomedicine Delivery Reverses Oxidative Stress Induced Lung Inflammation
ChemMedChem. 2024 Mar 8:e202400037. doi: 10.1002/cmdc.202400037. Online ahead of print.ABSTRACTNon-invasive delivery of drugs is important for the reversal of respiratory diseases essentially by-passing metabolic pathways and targeting large surface area of drug absorption. Here, we study the inhalation of a redox nano medicine namely citrate functionalized Mn3O4 (C-Mn3O4) duly encapsulated in droplet evaporated aerosols for the balancing of oxidative stress generated by the exposure of Chromium (VI) ion, a potential lung carcinogenic agent. Our optical spectroscopic in-vitro experiments demonstrates the efficacy of redox ...
Source: ChemMedChem - March 9, 2024 Category: Chemistry Authors: Ria Ghosh Monojit Das Susmita Mondal Amrita Banerjee Lopamudra Roy Anjan Kumar Das Debasish Pal Siddhartha Sankar Bhattacharya Maitree Bhattacharyya Samir Kumar Pal Source Type: research

Targeted Redox Balancing through Pulmonary Nanomedicine Delivery Reverses Oxidative Stress Induced Lung Inflammation
ChemMedChem. 2024 Mar 8:e202400037. doi: 10.1002/cmdc.202400037. Online ahead of print.ABSTRACTNon-invasive delivery of drugs is important for the reversal of respiratory diseases essentially by-passing metabolic pathways and targeting large surface area of drug absorption. Here, we study the inhalation of a redox nano medicine namely citrate functionalized Mn3O4 (C-Mn3O4) duly encapsulated in droplet evaporated aerosols for the balancing of oxidative stress generated by the exposure of Chromium (VI) ion, a potential lung carcinogenic agent. Our optical spectroscopic in-vitro experiments demonstrates the efficacy of redox ...
Source: ChemMedChem - March 9, 2024 Category: Chemistry Authors: Ria Ghosh Monojit Das Susmita Mondal Amrita Banerjee Lopamudra Roy Anjan Kumar Das Debasish Pal Siddhartha Sankar Bhattacharya Maitree Bhattacharyya Samir Kumar Pal Source Type: research

Targeted Redox Balancing through Pulmonary Nanomedicine Delivery Reverses Oxidative Stress Induced Lung Inflammation
ChemMedChem. 2024 Mar 8:e202400037. doi: 10.1002/cmdc.202400037. Online ahead of print.ABSTRACTNon-invasive delivery of drugs is important for the reversal of respiratory diseases essentially by-passing metabolic pathways and targeting large surface area of drug absorption. Here, we study the inhalation of a redox nano medicine namely citrate functionalized Mn3O4 (C-Mn3O4) duly encapsulated in droplet evaporated aerosols for the balancing of oxidative stress generated by the exposure of Chromium (VI) ion, a potential lung carcinogenic agent. Our optical spectroscopic in-vitro experiments demonstrates the efficacy of redox ...
Source: ChemMedChem - March 9, 2024 Category: Chemistry Authors: Ria Ghosh Monojit Das Susmita Mondal Amrita Banerjee Lopamudra Roy Anjan Kumar Das Debasish Pal Siddhartha Sankar Bhattacharya Maitree Bhattacharyya Samir Kumar Pal Source Type: research

Targeted Redox Balancing through Pulmonary Nanomedicine Delivery Reverses Oxidative Stress Induced Lung Inflammation
ChemMedChem. 2024 Mar 8:e202400037. doi: 10.1002/cmdc.202400037. Online ahead of print.ABSTRACTNon-invasive delivery of drugs is important for the reversal of respiratory diseases essentially by-passing metabolic pathways and targeting large surface area of drug absorption. Here, we study the inhalation of a redox nano medicine namely citrate functionalized Mn3O4 (C-Mn3O4) duly encapsulated in droplet evaporated aerosols for the balancing of oxidative stress generated by the exposure of Chromium (VI) ion, a potential lung carcinogenic agent. Our optical spectroscopic in-vitro experiments demonstrates the efficacy of redox ...
Source: ChemMedChem - March 9, 2024 Category: Chemistry Authors: Ria Ghosh Monojit Das Susmita Mondal Amrita Banerjee Lopamudra Roy Anjan Kumar Das Debasish Pal Siddhartha Sankar Bhattacharya Maitree Bhattacharyya Samir Kumar Pal Source Type: research

Identification of Potential inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand   Design, Molecular Docking and Nonequilibrium Alchemical Simulations
ChemMedChem. 2024 Mar 8:e202400095. doi: 10.1002/cmdc.202400095. Online ahead of print.ABSTRACTWe have assembled a computational pipeline based on virtual screening, docking techniques, and nonequilibrium molecular dynamics simulations, with the goal of identifying possible inhibitors of the SARS-CoV-2 NSP13 helicase, catalyzing by ATP hydrolysis the unwinding of double or single-stranded RNA in the viral replication process inside the host cell. The druggable sites for broad-spectrum inhibitors are represented by the RNA binding sites at the 5' entrance and 3' exit of the central channel, a structural motif that is highly...
Source: ChemMedChem - March 8, 2024 Category: Chemistry Authors: Giorgio Di Paco Marina Macchiagodena Piero Procacci Source Type: research

Identification of Potential inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand   Design, Molecular Docking and Nonequilibrium Alchemical Simulations
ChemMedChem. 2024 Mar 8:e202400095. doi: 10.1002/cmdc.202400095. Online ahead of print.ABSTRACTWe have assembled a computational pipeline based on virtual screening, docking techniques, and nonequilibrium molecular dynamics simulations, with the goal of identifying possible inhibitors of the SARS-CoV-2 NSP13 helicase, catalyzing by ATP hydrolysis the unwinding of double or single-stranded RNA in the viral replication process inside the host cell. The druggable sites for broad-spectrum inhibitors are represented by the RNA binding sites at the 5' entrance and 3' exit of the central channel, a structural motif that is highly...
Source: ChemMedChem - March 8, 2024 Category: Chemistry Authors: Giorgio Di Paco Marina Macchiagodena Piero Procacci Source Type: research