Synthesis, bioactivity and mode of action of 5A 5B 6C tricyclic spirolactones as novel antiviral lead compounds.
Sign Up to like & getrecommendations! Published in 2019 at "Pest management science"
DOI: 10.1002/ps.5115
Abstract: BACKGROUND Plant viral diseases cause tremendous decreases in yield and quality. Natural polycyclic compounds such as those containing carbocycles are often very important lead compounds for drug and pesticide development. Tricyclic spiranoid lactones with 5A… read more here.
Keywords: lead compounds; synthesis bioactivity; tricyclic spirolactones; mode action ... See more keywords
Computer-aided identification of natural lead compounds as cyclooxygenase-2 inhibitors using virtual screening and molecular dynamic simulation
Sign Up to like & getrecommendations! Published in 2018 at "Computational biology and chemistry"
DOI: 10.1016/j.compbiolchem.2018.07.005
Abstract: In order to find more natural lead-compounds as inhibitors for Cyclooxygenase-2, the essential structural features for human cyclooxygenase-2 inhibitors and 3D-Quantitative structure activity relationship (3D-QSAR) model were carried out based on dataset from three confirmatory… read more here.
Keywords: cyclooxygenase inhibitors; lead compounds; aided identification; natural lead ... See more keywords
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Sign Up to like & getrecommendations! Published in 2020 at "Communications Chemistry"
DOI: 10.1038/s42004-020-00367-0
Abstract: Fragment based methods are now widely used to identify starting points in drug discovery and generation of tools for chemical biology. A significant challenge is optimization of these weak binding fragments to hit and lead… read more here.
Keywords: reaction mixtures; rapid optimisation; crude reaction; lead compounds ... See more keywords
A novel heterometallic compound for design and study of electrical properties of silver nanoparticles-decorated lead compounds
Sign Up to like & getrecommendations! Published in 2018 at "New Journal of Chemistry"
DOI: 10.1039/c7nj03682e
Abstract: A new heterometallic compound AgPb(C2O4)(NO3) (AgPb-1) was constructed for the first time using a precipitation reaction. Then, different silver nanoparticles (Ag-NPs)-decorated lead compounds were obtained from AgPb-1via thermal annealing at different temperatures. The compounds Ag·PbCO3… read more here.
Keywords: silver nanoparticles; microscopy; agpb; heterometallic compound ... See more keywords
Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.964446
Abstract: SARS-CoV-2 triggered a worldwide medical crisis, affecting the world’s social, emotional, physical, and economic equilibrium. However, treatment choices and targets for finding a solution to COVID-19’s threat are becoming limited. A viable approach to combating… read more here.
Keywords: covid; drivers sars; main drivers; lead compounds ... See more keywords
Heteroaryl-Ethylenes as New Lead Compounds in the Fight against High Priority Bacterial Strains
Sign Up to like & getrecommendations! Published in 2021 at "Antibiotics"
DOI: 10.3390/antibiotics10091034
Abstract: The widespread use of antibiotics has led to a gradual increase in drug-resistant bacterial infections, which severely weakens the clinical efficacy of antibacterial therapies. In recent decades, stilbenes aroused great interest because of their high… read more here.
Keywords: ethylenes new; heteroaryl ethylenes; new lead; lead compounds ... See more keywords
AI-Aided Design of Novel Targeted Covalent Inhibitors against SARS-CoV-2
Sign Up to like & getrecommendations! Published in 2022 at "Biomolecules"
DOI: 10.3390/biom12060746
Abstract: The drug repurposing of known approved drugs (e.g., lopinavir/ritonavir) has failed to treat SARS-CoV-2-infected patients. Therefore, it is important to generate new chemical entities against this virus. As a critical enzyme in the lifecycle of… read more here.
Keywords: aided design; design; design novel; lead compounds ... See more keywords
In Silico Identification of Lead Compounds for Pseudomonas Aeruginosa PqsA Enzyme: Computational Study to Block Biofilm Formation
Sign Up to like & getrecommendations! Published in 2023 at "Biomedicines"
DOI: 10.3390/biomedicines11030961
Abstract: Pseudomonas aeruginosa is an opportunistic Gram-negative bacterium implicated in acute and chronic nosocomial infections and a leading cause of patient mortality. Pseudomonas aeruginosa infections are frequently associated with the development of biofilms, which give the… read more here.
Keywords: pseudomonas aeruginosa; virtual screening; pqsa enzyme; block ... See more keywords
Algal-Derived Halogenated Sesquiterpenes from Laurencia dendroidea as Lead Compounds in Schistosomiasis Environmental Control
Sign Up to like & getrecommendations! Published in 2022 at "Marine Drugs"
DOI: 10.3390/md20020111
Abstract: Schistosomiasis has been controlled for more than 40 years with a single drug, praziquantel, and only one molluscicide, niclosamide, raising concern of the possibility of the emergence of resistant strains. However, the molecular targets for… read more here.
Keywords: laurencia dendroidea; halogenated sesquiterpenes; derived halogenated; control ... See more keywords
Design and Screening of New Lead Compounds for Autism Based on QSAR Model and Molecular Docking Studies
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27217285
Abstract: The purpose of the present study aims to develop a satisfactory model for predicting pro-social and pro-cognitive effects on azinesulfonamides of cyclic amine derivatives as potential antipsychotics. The three dimensional-quantitative structure affinity relationship (3D-QSAR) study… read more here.
Keywords: lead compounds; screening new; model; new lead ... See more keywords
Carbohydrate-Small Molecule Hybrids as Lead Compounds Targeting IL-6 Signaling
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28020677
Abstract: In the past 25 years, a number of efforts have been made toward the development of small molecule interleukin-6 (IL-6) signaling inhibitors, but none have been approved to date. Monosaccharides are a diverse class of… read more here.
Keywords: small molecule; molecule; signaling inhibitors; carbohydrate small ... See more keywords