About: Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2

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About: Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2 Goto Sponge NotDistinct Permalink

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Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2
Creator	Kumar, K Rao, Ali, Hossain, S Hossain, Abbaraju Hossain, Kazi Kazi, Amirul Kolli, Kolli, A Kolli, Ali Kolli, Deepti Nagendra Kumar, Alugubelli Nagendra Kumar, Durga Nakhi, Ali Nakhi, Mandava Pal, Pal, Manojit Rao, Basaveswara Rao, Manojit Reddy, Alugubelli Reddy, Deepti Shahinshavali, Shaik Venkata, Abbaraju Venkata, Basaveswara Venkata, Durga Venkata, Mandava
Source	Elsevier; PMC
abstract	In view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of molecules based on the said template became essential for this purpose. Accordingly, a convenient and environmentally safer method has been developed for the rapid synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives under Cu-catalysis assisted by ultrasound. This simple and straightforward method involved the coupling of 2,3-dichloroquinoxaline with commercially available terminal alkynes in the presence of CuI, PPh3 and K2CO3 in PEG-400. Further in silico studies revealed some remarkable observations and established a virtual SAR (Structure Activity Relationship) within the series. Three compound appeared as potential agents for further studies.
has issue date	2020-08-27(xsd:dateTime)
bibo:doi	10.1016/j.tetlet.2020.152336
has license	els-covid
sha1sum (hex)	e10f13585e8cb747684f0851a19fc8996c9682fa
schema:url	https://doi.org/10.1016/j.tetlet.2020.152336
resource representing a document's title	Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2
has PubMed Central identifier	PMC7449981
schema:publication	Tetrahedron Lett
resource representing a document's body	covid:e10f13585e8cb747684f0851a19fc8996c9682fa#body_text
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