Cargando…

Assessment of activity of chalcone compounds as inhibitors of 3-chymotrypsin like protease (3CL(Pro)) of SARS-CoV-2: in silico study

The COVID-19 is still pandemic due to emerging of various variant of concern of SARS-CoV2. Hence, it is devastating the world, causing significant economic as well as social chaos. This needs great effort to search and develop effective alternatives along with vaccination. Therefore, to continue dru...

Descripción completa

Detalles Bibliográficos
Autores principales:	Mathpal, Shalini, Joshi, Tushar, Sharma, Priyanka, Pande, Veena, Chandra, Subhash
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer US 2022
Materias:	Original Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8818839/ https://www.ncbi.nlm.nih.gov/pubmed/35153452 http://dx.doi.org/10.1007/s11224-022-01887-2

Ejemplares similares

Computational investigation of drug bank compounds against 3C-like protease (3CL(pro)) of SARS-CoV-2 using deep learning and molecular dynamics simulation
por: Joshi, Tushar, et al.
Publicado: (2021)

Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19
por: Joshi, Tanuja, et al.
Publicado: (2020)

Exploration of chalcones as 3-chymotrypsin-like protease (3CL(pro)) inhibitors of SARS-CoV-2 using computational approaches
por: Lam, Thua-Phong, et al.
Publicado: (2022)

Antcin-B, a phytosterol-like compound from Taiwanofungus camphoratus inhibits SARS-CoV-2 3-chymotrypsin-like protease (3CL(Pro)) activity in silico and in vitro
por: Dakpa, Gyaltsen, et al.
Publicado: (2023)

Identification of Zinc-Binding Inhibitors of Matrix Metalloproteinase-9 to Prevent Cancer Through Deep Learning and Molecular Dynamics Simulation Approach
por: Mathpal, Shalini, et al.
Publicado: (2022)

Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
por: Joshi, Tushar, et al.
Publicado: (2021)

Identification of Putative Elicitors From Plant Root Exudates Responsible for PsoR Activation in Plant-Beneficial Pseudomonas spp. by Docking and Molecular Dynamics Simulation Approaches to Decipher Plant–Microbe Interaction
por: Sati, Diksha, et al.
Publicado: (2022)

Using Chou’s 5-steps rule to study pharmacophore-based virtual screening of SARS-CoV-2 Mpro inhibitors
por: Pundir, Hemlata, et al.
Publicado: (2020)

In silico screening of potential compounds from begonia genus as 3CL protease (3Cl pro) SARS-CoV-2 inhibitors
por: Maulana, Saipul, et al.
Publicado: (2023)

Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis
por: Nand, Mahesha, et al.
Publicado: (2020)

In-silico approaches for identification of compounds inhibiting SARS-CoV-2 3CL protease
por: Zeyaullah, Md., et al.
Publicado: (2023)

Biflavonoid as potential 3-chymotrypsin-like protease (3CLpro) inhibitor of SARS-Coronavirus
por: Hartini, Yustina, et al.
Publicado: (2021)

In silico analysis of echinocandins binding to the main proteases of coronaviruses PEDV (3CL(pro)) and SARS-CoV-2 (M(pro))
por: Vergoten, Gérard, et al.
Publicado: (2021)

In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2
por: Abdizadeh, Rahman, et al.
Publicado: (2021)

In silico screening of chalcones and flavonoids as potential inhibitors against yellow head virus 3C-like protease
por: Boonthaworn, Kanpong, et al.
Publicado: (2023)

In silico and in vitro analysis of small molecules and natural compounds targeting the 3CL protease of feline infectious peritonitis virus
por: Theerawatanasirikul, Sirin, et al.
Publicado: (2020)

Biochemical and biophysical characterization of the main protease, 3-chymotrypsin-like protease (3CLpro) from the novel coronavirus SARS-CoV 2
por: Ferreira, Juliana C., et al.
Publicado: (2020)

Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents
por: Mody, Vicky, et al.
Publicado: (2021)

Trypsin- and Chymotrypsin-Like Serine Proteases in Schistosoma mansoni – ‘The Undiscovered Country’
por: Horn, Martin, et al.
Publicado: (2014)

Structural comparison strengthens the higher-order classification of proteases related to chymotrypsin
por: Mönttinen, Heli A. M., et al.
Publicado: (2019)

Loss of chymotrypsin-like protease (CTRL) alters intrapancreatic protease activation but not pancreatitis severity in mice
por: Mosztbacher, Dóra, et al.
Publicado: (2020)

Virtual screening of natural compounds as inhibitors of EGFR 696-1022 T790M associated with non-small cell lung cancer
por: Nand, Mahesha, et al.
Publicado: (2016)

Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy
por: Maiti, Priyanka, et al.
Publicado: (2022)

QM/QM studies for Michael reaction in coronavirus main protease (3CL(Pro))
por: Taranto, Alex G., et al.
Publicado: (2008)

The development of Coronavirus 3C-Like protease (3CL(pro)) inhibitors from 2010 to 2020
por: Liu, Yuzhi, et al.
Publicado: (2020)

Amentoflavone derivatives significantly act towards the main protease (3CL(PRO)/M(PRO)) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacology
por: Dey, Dipta, et al.
Publicado: (2022)

Ginkgolic acid and anacardic acid are reversible inhibitors of SARS-CoV-2 3-chymotrypsin-like protease
por: Li, Dongsheng, et al.
Publicado: (2022)

Pharmacoinformatic study of inhibitory potentials of selected flavonoids against papain-like protease and 3-chymotrypsin-like protease of SARS-CoV-2
por: Tijjani, Habibu, et al.
Publicado: (2022)

Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis
por: Clark, Elizabeth A., et al.
Publicado: (2011)

Inhibition of the SARS-CoV-2 3CL(pro) main protease by plant polyphenols
por: Bahun, Miha, et al.
Publicado: (2022)

Considerations for the discovery and development of 3-chymotrypsin-like cysteine protease inhibitors targeting SARS-CoV-2 infection
por: Vandyck, Koen, et al.
Publicado: (2021)

Chetomin, a SARS-CoV-2 3C-like Protease (3CL(pro)) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis
por: Ibrahim, Mahmoud A. A., et al.
Publicado: (2023)

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
por: Iketani, Sho, et al.
Publicado: (2020)

Evaluation of metal‐conjugated compounds as inhibitors of 3CL protease of SARS‐CoV
por: Hsu, John T.-A., et al.
Publicado: (2004)

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
por: Iketani, Sho, et al.
Publicado: (2021)

Inhibition of SARS-CoV-2 main protease 3CL(pro) by means of α-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking
por: Elzupir, Amin O.
Publicado: (2020)

Structurally- and dynamically-driven allostery of the chymotrypsin-like proteases of SARS, Dengue and Zika viruses
por: Lim, Liangzhong, et al.
Publicado: (2019)

Virtual high throughput screening: Potential inhibitors for SARS-CoV-2 PL(PRO) and 3CL(PRO) proteases
por: Jade, Dhananjay, et al.
Publicado: (2021)

FORMATION OF NEW CRYSTALLINE ENZYMES FROM CHYMOTRYPSIN : ISOLATION OF BETA AND GAMMA CHYMOTRYPSIN
por: Kunitz, M.
Publicado: (1938)

Development of Broad‐Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CL(pro)
por: Bacha, Usman, et al.
Publicado: (2008)

Cannot write session to /tmp/vufind_sessions/sess_ld0l4mh24lbjigo0d0re1qhljm