2022
DOI: 10.3390/molecules27144652
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Abstract: Microtubule affinity regulating kinase 4 (MARK4) regulates the mechanism of microtubules by its ability to phosphorylate the microtubule-associated proteins (MAP’s). MARK4 is known for its major role in tau phosphorylation via phosphorylating Ser262 residue in the KXGS motif, which results in the detachment of tau from microtubule. In lieu of this vital role in tau pathology, a hallmark of Alzheimer’s disease (AD), MARK4 is a druggable target to treat AD and other neurodegenerative disorders (NDs). There is gr… Show more

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Cited by 5 publications
(5 citation statements)
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“…Protein-ligand binding free energies are crucial as these aid in filtering out key ligands from a large pool. In this work, we have employed molecular mechanics Poisson–Boltzmann surface area and linear interaction energy (LIE) methodologies to estimate the binding affinities of empagliflozin and linagliptin as per earlier published studies …”
Section: Resultsmentioning
confidence: 99%
See 2 more Smart Citations
“…Protein-ligand binding free energies are crucial as these aid in filtering out key ligands from a large pool. In this work, we have employed molecular mechanics Poisson–Boltzmann surface area and linear interaction energy (LIE) methodologies to estimate the binding affinities of empagliflozin and linagliptin as per earlier published studies …”
Section: Resultsmentioning
confidence: 99%
“…In this work, we have employed molecular mechanics Poisson–Boltzmann surface area and linear interaction energy (LIE) methodologies to estimate the binding affinities of empagliflozin and linagliptin as per earlier published studies. 36 …”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…In the original publication [ 1 ], the funder “Deanship of Scientific Research (DSR), King Abdulaziz University, Jeddah, Saudi Arabia”, “IFPDP-31-22” to “Mohammad Zubair Alam” was not included. The authors apologize for any inconvenience caused and state that the scientific conclusions are unaffected.…”
Section: Missing Fundingmentioning
confidence: 99%
“…Recently, computer-aided drug discovery (CADD) approaches, especially structure-based virtual screening (SBVS), have been commonly applied to new drug discovery in various disciplines [ 29 , 30 , 31 , 32 ]. Molecular docking tools become beneficial in predicting the binding poses of novel bioactive compounds and ranking them according to their scoring functions.…”
Section: Introductionmentioning
confidence: 99%