Synthetic α‐Helical Peptides as Potential Inhibitors of the ACE2 SARS‐CoV‐2 Interaction
Sign Up to like & getrecommendations! Published in 2022 at "Chembiochem"
DOI: 10.1002/cbic.202200372
Abstract: During viral cell entry, the spike protein of SARS‐CoV‐2 binds to the α1‐helix motif of human angiotensin‐converting enzyme 2 (ACE2). Thus, alpha‐helical peptides mimicking this motif may serve as inhibitors of viral cell entry. For this… read more here.
Keywords: peptides potential; potential inhibitors; helical peptides; synthetic helical ... See more keywords
Identification of potential inhibitors, conformational dynamics, and mechanistic insights into mutant Kirsten rat sarcoma virus (G13D) driven cancers
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Cellular Biochemistry"
DOI: 10.1002/jcb.30305
Abstract: The mutations at the hotspot region of K‐Ras result in the progression of cancer types. Our study aimed to explore the small molecule inhibitors against the G13D mutant K‐Ras model with anti‐cancerous activity from food… read more here.
Keywords: potential inhibitors; identification potential; driven cancers; conformational dynamics ... See more keywords
Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Diversity"
DOI: 10.1007/s11030-020-10135-w
Abstract: Abstract The pandemic outbreak of the Corona viral infection has become a critical global health issue. Biophysical and structural evidence shows that spike protein possesses a high binding affinity towards host angiotensin-converting enzyme 2 and… read more here.
Keywords: potential inhibitors; energy; molecular dynamics; binding free ... See more keywords
Surveying FDA-approved drugs as new potential inhibitors of N-cadherin protein: a virtual screening approach
Sign Up to like & getrecommendations! Published in 2020 at "Structural Chemistry"
DOI: 10.1007/s11224-020-01595-9
Abstract: Since N-cadherin protein plays a remarkable role in cancer metastasis and tumor growth and progression, finding new effective inhibitors of this protein can be of high importance in cancer treatment. Nevertheless, few molecules have been… read more here.
Keywords: potential inhibitors; surveying fda; inhibitors cadherin; cadherin protein ... See more keywords
Identification of potential inhibitors of three key enzymes of SARS-CoV2 using computational approach
Sign Up to like & getrecommendations! Published in 2020 at "Computers in Biology and Medicine"
DOI: 10.1016/j.compbiomed.2020.103848
Abstract: Abstract The recent outbreak of coronavirus disease-19 (COVID-19) continues to drastically affect healthcare throughout the world. To date, no approved treatment regimen or vaccine is available to effectively attenuate or prevent the infection. Therefore, collective… read more here.
Keywords: potential inhibitors; drug; inhibitors three; identification potential ... See more keywords
Virtual screening of molecular databases for potential inhibitors of the NSP16/NSP10 methyltransferase from SARS-CoV-2
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2022.132951
Abstract: COVID-19 is a disease caused by the SARS-CoV-2 virus and represents one of the greatest health problems that humanity faces at the moment. Therefore, efforts have been made with the objective of seeking therapies that… read more here.
Keywords: inhibitors nsp16; sars cov; nsp16 nsp10; potential inhibitors ... See more keywords
High-throughput screening to identify potential inhibitors of the Zα domain of the adenosine deaminase 1 (ADAR1)
Sign Up to like & getrecommendations! Published in 2021 at "Saudi Journal of Biological Sciences"
DOI: 10.1016/j.sjbs.2021.06.080
Abstract: Adenosine deaminases acting on RNA 1 (ADAR1) are enzymes involved in editing adenosine to inosine in the dsRNAs of cells associated with cancer development. The p150 isoform of ADAR1 is the only isoform containing the… read more here.
Keywords: adar1; potential inhibitors; throughput screening; identify potential ... See more keywords
Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c00511
Abstract: Misfolding and aggregation of transthyretin are implicated in the fatal systemic disease known as transthyretin amyloidosis. Here, we report the development of a naringenin derivative bearing two chlorine atoms that will be efficacious for preventing… read more here.
Keywords: chlorinated naringenin; transthyretin; analogues potential; potential inhibitors ... See more keywords
In silico identification of potential inhibitors targeting Streptococcus mutans sortase A
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Oral Science"
DOI: 10.1038/ijos.2016.58
Abstract: Dental caries is one of the most common chronic diseases and is caused by acid fermentation of bacteria adhered to the teeth. Streptococcus mutans (S. mutans) utilizes sortase A (SrtA) to anchor surface proteins to… read more here.
Keywords: potential inhibitors; silico identification; identification potential; streptococcus mutans ... See more keywords
Computational estimation of potential inhibitors from known drugs against the main protease of SARS-CoV-2
Sign Up to like & getrecommendations! Published in 2021 at "RSC Advances"
DOI: 10.1039/d1ra02529e
Abstract: The coronavirus disease (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has rapidly spread worldwide recently, leading to global social and economic disruption. Although the emergently approved vaccine programs against SARS-CoV-2 have… read more here.
Keywords: estimation potential; sars cov; potential inhibitors; computational estimation ... See more keywords
Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1468282
Abstract: Microtubule affinity-regulating kinase 4 (MARK4) has recently been identified as a potential drug target for several complex diseases including cancer, diabetes and neurodegenerative disorders. Inhibition of MARK4 activity is an appealing therapeutic option to treat… read more here.
Keywords: regulating kinase; kinase mark4; potential inhibitors; affinity regulating ... See more keywords