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PCSK9 inhibitors as safer therapeutics for atherosclerotic cardiovascular disease (ASCVD): Pharmacophore design and molecular dynamics analysis

https://doi.org/10.1002/jcb.30581
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The natural way forward: Molecular dynamics simulation analysis of phytochemicals from Indian medicinal plants as potential inhibitors of SARS‐CoV ‐2 targets
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Propitious Indazole Compounds as β‐ketoacyl‐ACP Synthase Inhibitors and Mechanisms Unfolded for TB Cure: Integrated Rational Design and MD Simulations
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Calculation of Binding Free Energies
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Per-Residue Energy Footprints-Based Pharmacophore Modeling as an Enhanced In Silico Approach in Drug Discovery: A Case Study on the Identification of Novel β-Secretase1 (BACE1) Inhibitors as Anti-Alzheimer Agents
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Oral Bioavailability: Issues and Solutions via Nanoformulations
inferredcites →https://doi.org/10.1016/j.atherosclerosis.2007.07.022openalex-snapshot
Identification and characterization of two non-secreted PCSK9 mutants associated with familial hypercholesterolemia in cohorts from New Zealand and South Africa
inferredcites →https://doi.org/10.1016/j.celrep.2015.11.006openalex-snapshot
GRP94 Regulates Circulating Cholesterol Levels through Blockade of PCSK9-Induced LDLR Degradation
inferredcites →https://doi.org/10.1016/j.chembiol.2019.10.002openalex-snapshot
From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9
inferredcites →https://doi.org/10.1016/j.chembiol.2021.08.012openalex-snapshot
Identification of a PCSK9-LDLR disruptor peptide with in vivo function
inferredcites →https://doi.org/10.1016/j.crphar.2023.100161openalex-snapshot
Apigenin attenuates depressive-like behavior via modulating monoamine oxidase A enzyme activity in chronically stressed mice
inferredcites →https://doi.org/10.1016/j.febslet.2015.01.007openalex-snapshot
MMP‐2 inhibits PCSK9‐induced degradation of the LDL receptor in Hepa1‐c1c7 cells
inferredcites →https://doi.org/10.1016/j.heliyon.2020.e04944openalex-snapshot
Application of per-residue energy decomposition to identify the set of amino acids critical for in silico prediction of COX-2 inhibitory activity
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MM-PBSA and per-residue decomposition energy studies on 7-Phenyl-imidazoquinolin-4(5H)-one derivatives: Identification of crucial site points at microsomal prostaglandin E synthase-1 (mPGES-1) active site
inferredcites →https://doi.org/10.1016/j.jmb.2012.06.018openalex-snapshot
Calcium-Independent Inhibition of PCSK9 by Affinity-Improved Variants of the LDL Receptor EGF(A) Domain
inferredcites →https://doi.org/10.1021/acs.chemrev.9b00055openalex-snapshot
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
inferredcites →https://doi.org/10.1021/ci100275aopenalex-snapshot
Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/jm020017nopenalex-snapshot
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
inferredcites →https://doi.org/10.1038/mtna.2012.16openalex-snapshot
Cholesterol-lowering Action of BNA-based Antisense Oligonucleotides Targeting PCSK9 in Atherogenic Diet-induced Hypercholesterolemic Mice
inferredcites →https://doi.org/10.1038/nprot.2016.051openalex-snapshot
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
inferredcites →https://doi.org/10.1038/s41598-020-77072-4openalex-snapshot
Statistics for the analysis of molecular dynamics simulations: providing P values for agonist-dependent GPCR activation
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Therapeutic RNAi targeting PCSK9 acutely lowers plasma cholesterol in rodents and LDL cholesterol in nonhuman primates
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Effects of the Prosegment and pH on the Activity of PCSK9
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In Vivo Evidence That Furin from Hepatocytes Inactivates PCSK9
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The M2 Module of the Cys-His-rich Domain (CHRD) of PCSK9 Protein Is Needed for the Extracellular Low-density Lipoprotein Receptor (LDLR) Degradation Pathway
inferredcites →https://doi.org/10.1074/jbc.m112.399725openalex-snapshot
Loss- and Gain-of-function PCSK9 Variants
inferredcites →https://doi.org/10.1074/jbc.m113.541094openalex-snapshot
Annexin A2 Reduces PCSK9 Protein Levels via a Translational Mechanism and Interacts with the M1 and M2 Domains of PCSK9
inferredcites →https://doi.org/10.1074/jbc.m115.647180openalex-snapshot
Amyloid Precursor-like Protein 2 and Sortilin Do Not Regulate the PCSK9 Convertase-mediated Low Density Lipoprotein Receptor Degradation but Interact with Each Other
inferredcites →https://doi.org/10.1074/jbc.m116.717736openalex-snapshot
Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Single Domain Antibodies Are Potent Inhibitors of Low Density Lipoprotein Receptor Degradation
inferredcites →https://doi.org/10.1080/00268976.2022.2162456openalex-snapshot
Algorithmic graph theory for post-processing molecular dynamics trajectories
inferredcites →https://doi.org/10.1080/07391102.2023.2191140openalex-snapshot
Dynamics of the personalities of PCSK9 on missense variants (rs505151 and rs562556) from elderly cohort studies in Brazil
inferredcites →https://doi.org/10.1080/14712598.2020.1677604openalex-snapshot
PCSK9 inhibitors and cardiovascular outcomes
inferredcites →https://doi.org/10.1097/fpc.0b013e3282f44d99openalex-snapshot
Molecular population genetics of PCSK9: a signature of recent positive selection
inferredcites →https://doi.org/10.1111/j.0009-9163.2004.0238.xopenalex-snapshot
Mutations in the PCSK9 gene in Norwegian subjects with autosomal dominant hypercholesterolemia
inferredcites →https://doi.org/10.1111/j.1365-2796.2007.01915.xopenalex-snapshot
Characterization of novel mutations in the catalytic domain of the PCSK9 gene
inferredcites →https://doi.org/10.1124/jpet.114.214221openalex-snapshot
Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering
inferredcites →https://doi.org/10.1146/annurev-med-022613-090402openalex-snapshot
Reduction of Low-Density Lipoprotein Cholesterol by Monoclonal Antibody Inhibition of PCSK9
inferredcites →https://doi.org/10.1161/circresaha.114.301621openalex-snapshot
PCSK9
inferredcites →https://doi.org/10.1172/jci29383openalex-snapshot
Secreted PCSK9 decreases the number of LDL receptors in hepatocytes and inlivers of parabiotic mice
inferredcites →https://doi.org/10.1186/2052-336x-12-82openalex-snapshot
Synthesis and characterization of molecularly imprinted polymers for the remediation of PCBs and dioxins in aqueous environments
inferredcites →https://doi.org/10.1194/jlr.c600025-jlr200openalex-snapshot
Antisense inhibition of proprotein convertase subtilisin/kexin type 9 reduces serum LDL in hyperlipidemic mice
inferredcites →https://doi.org/10.1194/jlr.cx00001-jlr200openalex-snapshot
Errata. PCSK9 function and physiology
inferredcites →https://doi.org/10.1371/journal.pcbi.1003154openalex-snapshot
A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications
inferredcites →https://doi.org/10.1371/journal.pone.0010682openalex-snapshot
A Locked Nucleic Acid Antisense Oligonucleotide (LNA) Silences PCSK9 and Enhances LDLR Expression In Vitro and In Vivo
inferredcites →https://doi.org/10.1371/journal.pone.0255523openalex-snapshot
Finding inhibitors for PCSK9 using computational methods
inferredcites →https://doi.org/10.1517/14728220802600715openalex-snapshot
PCSK9 as a therapeutic target of dyslipidemia
inferredcites →https://doi.org/10.1517/17460441.2015.1032936openalex-snapshot
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
inferredcites →https://doi.org/10.2139/ssrn.4332211openalex-snapshot
Β-Amyrin and Benzene-1,2,4-Trimethyl from Euphorbia Hirta L. And Nauclea Latifolia (Smith) Leaves Induce Dauer Diapause Via Antagonist Inhibition of Daf-12 Receptor
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Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agents
inferredcites →https://doi.org/10.3389/fcvm.2021.764038openalex-snapshot
Regulation of PCSK9 Expression and Function: Mechanisms and Therapeutic Implications
inferredcites →https://doi.org/10.3389/fmolb.2022.848353openalex-snapshot
Application of per-Residue Energy Decomposition to Design Peptide Inhibitors of PSD95 GK Domain
inferredcites →https://doi.org/10.3390/biomedicines9070793openalex-snapshot
PCSK9: A Multi-Faceted Protein That Is Involved in Cardiovascular Biology
inferredcites →https://doi.org/10.3390/cells11192972openalex-snapshot
PCSK9 Inhibition: From Current Advances to Evolving Future
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In Silico Insights into Protein–Protein Interaction Disruptive Mutations in the PCSK9-LDLR Complex
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Statin Therapy: Review of Safety and Potential Side Effects.
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