Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises
Sign Up to like & getrecommendations! Published in 2021 at "Computational and Structural Biotechnology Journal"
DOI: 10.1016/j.csbj.2021.04.059
Abstract: There is an urgent need to identify new therapies that prevent SARS-CoV-2 infection and improve the outcome of COVID-19 patients. This pandemic has thus spurred intensive research in most scientific areas and in a short… read more here.
Keywords: advance small; computational strategies; small molecule; resources computational ... See more keywords
Computational strategies towards developing novel SARS-CoV-2 Mpro inhibitors against COVID-19
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131378
Abstract: The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) remains to be a serious threat due to the lack of a specific therapeutic agent. Computational methods are particularly suitable for rapidly fight… read more here.
Keywords: strategies towards; computational strategies; mpro inhibitors; cov mpro ... See more keywords
Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an Australian marine sponge Plakortis Lita
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2016.1220870
Abstract: In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an… read more here.
Keywords: explore antimalarial; computational strategies; anti malarial; strategies explore ... See more keywords
Computational strategies to combat COVID-19: useful tools to accelerate SARS-CoV-2 and coronavirus research
Sign Up to like & getrecommendations! Published in 2021 at "Briefings in Bioinformatics"
DOI: 10.1093/bib/bbaa232
Abstract: Abstract SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is a novel virus of the family Coronaviridae. The virus causes the infectious disease COVID-19. The biology of coronaviruses has been studied for many years. However, bioinformatics… read more here.
Keywords: research; computational strategies; strategies combat; covid useful ... See more keywords
Updates on drug designing approach through computational strategies: a review
Sign Up to like & getrecommendations! Published in 2023 at "Future Science OA"
DOI: 10.2144/fsoa-2022-0085
Abstract: The drug discovery and development (DDD) process in pursuit of novel drug candidates is a challenging procedure requiring lots of time and resources. Therefore, computer-aided drug design (CADD) methodologies are used extensively to promote proficiency… read more here.
Keywords: drug designing; updates drug; computational strategies; designing approach ... See more keywords
Computational strategies to identify new drug candidates against neuroinflammation.
Sign Up to like & getrecommendations! Published in 2022 at "Current medicinal chemistry"
DOI: 10.2174/0929867329666220208095122
Abstract: The even more increasing application of computational approaches in these last decades has deeply modified the process of discovery and commercialization of new therapeutic entities. This is especially true in the field of neuroinflammation, in… read more here.
Keywords: identify new; neuroinflammation; computational strategies; new drug ... See more keywords
Molecular and Computational Strategies to Increase the Efficiency of CRISPR-Based Techniques
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Plant Science"
DOI: 10.3389/fpls.2022.868027
Abstract: The prokaryote-derived Clustered Regularly Interspaced Palindromic Repeats (CRISPR)/Cas mediated gene editing tools have revolutionized our ability to precisely manipulate specific genome sequences in plants and animals. The simplicity, precision, affordability, and robustness of this technology… read more here.
Keywords: crispr cas; strategies increase; crispr based; efficiency ... See more keywords
Computational Strategies for Scalable Genomics Analysis
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DOI: 10.3390/genes10121017
Abstract: The revolution in next-generation DNA sequencing technologies is leading to explosive data growth in genomics, posing a significant challenge to the computing infrastructure and software algorithms for genomics analysis. Various big data technologies have been… read more here.
Keywords: strategies scalable; computational strategies; scalable genomics; genomics analysis ... See more keywords
Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies.
Sign Up to like & getrecommendations! Published in 2017 at "Future medicinal chemistry"
DOI: 10.4155/fmc-2016-0224
Abstract: Kinetic and thermodynamic ligand-protein binding parameters are gaining growing importance as key information to consider in drug discovery. The determination of the molecular structures, using particularly x-ray and NMR techniques, is crucial for understanding how… read more here.
Keywords: computational strategies; thermodynamic ligand; binding parameters; ligand protein ... See more keywords