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Structure-Based Rational Quest for Potential Novel Inhibitors of Human HMG-CoA Reductase by Combining CoMFA 3D QSAR Modeling and Virtual Screening

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

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Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

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Multiway calibration in 3D QSAR

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Validation of the general purpose tripos 5.2 force field

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The Probability of Chance Correlation Using Partial Least Squares (PLS)

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Molecular docking to ensembles of protein structures 1 1Edited by B. Honig

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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

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Molecular docking of the highly hypolipidemic agent α-asarone with the catalytic portion of HMG-CoA reductase

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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Development of filter functions for protein–ligand docking

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Structure-based virtual screening: an overview

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Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching

inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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Inhibitors of cholesterol biosynthesis. 1. 3,5-Dihydroxy-7-(N-imidazolyl)-6-heptenoates and -heptanoates, a novel series of 3-hydroxy-3-methylglutarate-CoA reductase inhibitors

inferredcites →https://doi.org/10.1021/jm00075a021openalex-snapshot

Inhibitors of cholesterol biosynthesis. 2. 3,5-Dihydroxy-7-(N-pyrrolyl)-6-heptenoates, a novel series of HMG-CoA reductase inhibitors

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Successful Virtual Screening for Novel Inhibitors of Human Carbonic Anhydrase: Strategy and Experimental Confirmation

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Flexible docking under pharmacophore type constraints

inferredcites →https://doi.org/10.1038/343425a0openalex-snapshot

Regulation of the mevalonate pathway

inferredcites →https://doi.org/10.1093/emboj/19.5.819openalex-snapshot

Crystal structure of the catalytic portion of human HMG‐CoA reductase: insights into regulation of activity and catalysis

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Structural Mechanism for Statin Inhibition of HMG-CoA Reductase

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The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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In Silico Screening

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QSAR and complex network study of the chiral HMGR inhibitor structural diversity

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Development of 3-aryl-1-isoquinolinamines as potent antitumor agents based on CoMFA

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Structure-based virtual screening of novel inhibitors of the uridyltransferase activity of Xanthomonas oryzae pv. oryzae GlmU

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Predictive Modeling of HMG-CoA Reductase Inhibitory Activity and Design of New HMG-CoA Reductase Inhibitors

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Structure-Based Design and Screen of Novel Inhibitors for Class II 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase from Streptococcus Pneumoniae

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Binding Interaction Analysis of the Active Site and Its Inhibitors for Neuraminidase (N1 Subtype) of Human Influenza Virus by the Integration of Molecular Docking, FMO Calculation and 3D-QSAR CoMFA Modeling

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