Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulation.
Sign Up to like & getrecommendations! Published in 2021 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2021.105572
Abstract: A series of around eight novel chalcone based coumarin derivatives (23a-h) was designed, subjected to in-silico ADMET prediction, synthesized, characterized by IR, NMR, Mass analytical techniques and evaluated as acetylcholinesterase (AChE) inhibitor for the treatment… read more here.
Keywords: molecular dynamics; novel thiophene; admet prediction; dynamics simulation ... See more keywords
Discovery of novel thiophene derivatives as potent neuraminidase inhibitors.
Sign Up to like & getrecommendations! Published in 2021 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2021.113762
Abstract: Neuraminidase (NA) is an important target for the treatment of influenza. In this study, a new lead NA inhibitor, 4 (ZINC01121127), was discovered by pharmacophore-based virtual screening and molecular dynamic (MD) simulation. Some novel NA… read more here.
Keywords: derivatives potent; thiophene derivatives; potent neuraminidase; thiophene ... See more keywords
Electrochemical studies of novel thiophene-tetrazine donor-acceptor hybrids
Sign Up to like & getrecommendations! Published in 2021 at "Tetrahedron Letters"
DOI: 10.1016/j.tetlet.2021.152905
Abstract: Abstract The compartmentalization of molecular properties is achievable in thiophene-tetrazine assemblies featuring non-conjugating spacer-groups between electron rich thiophene rings and electron deficient s-tetrazine rings. The assemblies have been studied electrochemically and spectro-electrochemically and our results… read more here.
Keywords: tetrazine; thiophene tetrazine; electrochemical studies; novel thiophene ... See more keywords
Design, Synthesis, and Antifungal Activity of Novel Thiophene/Furan-1,3,4-Oxadiazole Carboxamides as Potent Succinate Dehydrogenase Inhibitors.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of agricultural and food chemistry"
DOI: 10.1021/acs.jafc.1c03857
Abstract: Succinate dehydrogenase (SDH) is known as an ideal target for the investigations of fungicides. To develop novel SDH inhibitors, 30 novel thiophene/furan-1,3,4-oxadiazole carboxamide derivatives were designed and synthesized. In the in vitro antifungal assay, a… read more here.
Keywords: furan oxadiazole; novel thiophene; antifungal activity; activity ... See more keywords
Discovery of Novel Thiophene-arylamide Derivatives as DprE1 Inhibitors with Potent Antimycobacterial Activities
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Medicinal Chemistry"
DOI: 10.1021/acs.jmedchem.1c00263
Abstract: In this study, we report the design and synthesis of a series of novel thiophene-arylamide compounds derived from the noncovalent decaprenylphosphoryl-β-d-ribose 2′-epimerase (DprE1) inhibitor TCA1 through a structure-based scaffold hopping strategy. Systematic optimization of the… read more here.
Keywords: potent antimycobacterial; thiophene arylamide; novel thiophene; discovery novel ... See more keywords
Novel thiophene-based donor-acceptor scaffolds as cathodes for rechargeable aqueous zinc-ion hybrid supercapacitors.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc02021a
Abstract: Well-defined π-conjugated thiophene donor-acceptor molecules play an important role in different fields ranging from synthetic chemistry to materials science. Their chemical structure provides specific electronic and physicochemical properties, which can be further tuned by the… read more here.
Keywords: acceptor; zinc ion; donor acceptor; novel thiophene ... See more keywords