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Can ‘Bacterial-Metabolite-Likeness' Model Improve Odds of ‘in Silico' Antibiotic Discovery?

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What this work says

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

inferredcites →https://doi.org/10.1016/0006-291x(90)91028-qopenalex-snapshot

Inhibition of Trypanosoma cruzi growth and sterol biosynthesis by lovastatin

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Independence of the carotene and sterol pathways of Phycomyces

inferredcites →https://doi.org/10.1016/0166-6851(95)00114-gopenalex-snapshot

Exogenous and endogenous sources of sterols in the culture-adapted procyclic trypomastigotes of Trypanosoma brucei

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Isoprenoid synthesis in Halobacterium halobium. Modulation of 3-hydroxy-3-methylglutaryl coenzyme a concentration in response to mevalonate availability.

inferredcites →https://doi.org/10.1016/s0166-1280(00)00366-3openalex-snapshot

Artificial neural network applied to the discrimination of antibacterial activity by topological methods

inferredcites →https://doi.org/10.1016/s0924-8579(99)00160-0openalex-snapshot

Effect of some psychotropic drugs and a barbiturate on mycoplasmas

inferredcites →https://doi.org/10.1016/s1093-3263(01)00103-6openalex-snapshot

General topological patterns of known drugs

inferredcites →https://doi.org/10.1021/ci000303copenalex-snapshot

Getting Discriminant Functions of Antibacterial Activity from Physicochemical and Topological Parameters

inferredcites →https://doi.org/10.1021/ci0003810openalex-snapshot

Improving the Odds in Discriminating “Drug-like” from “Non Drug-like” Compounds

inferredcites →https://doi.org/10.1021/ci025501dopenalex-snapshot

Structure-Based Classification of Antibacterial Activity

inferredcites →https://doi.org/10.1021/ci0302862openalex-snapshot

Drugs and Nondrugs: An Effective Discrimination with Topological Methods and Artificial Neural Networks

inferredcites →https://doi.org/10.1021/ci030340eopenalex-snapshot

Artificial Neural Networks and Linear Discriminant Analysis: A Valuable Combination in the Selection of New Antibacterial Compounds

inferredcites →https://doi.org/10.1021/ci0340916openalex-snapshot

Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions

inferredcites →https://doi.org/10.1021/ci034147wopenalex-snapshot

Inductive Electronegativity Scale. Iterative Calculation of Inductive Partial Charges

inferredcites →https://doi.org/10.1021/ci0342019openalex-snapshot

Designing Antibacterial Compounds through a Topological Substructural Approach

inferredcites →https://doi.org/10.1021/ci0498158openalex-snapshot

‘Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand

inferredcites →https://doi.org/10.1021/ci9702454openalex-snapshot

Antimicrobial Activity Characterization in a Heterogeneous Group of Compounds

inferredcites →https://doi.org/10.1021/jm0010670openalex-snapshot

Discriminating between Drugs and Nondrugs by Prediction of Activity Spectra for Substances (PASS)

inferredcites →https://doi.org/10.1021/jm049087fopenalex-snapshot

Successful in Silico Discovery of Novel Nonsteroidal Ligands for Human Sex Hormone Binding Globulin

inferredcites →https://doi.org/10.1021/jm970666copenalex-snapshot

Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?

inferredcites →https://doi.org/10.1021/jm9706776openalex-snapshot

A Scoring Scheme for Discriminating between Drugs and Nondrugs

inferredcites →https://doi.org/10.1021/jm980448zopenalex-snapshot

Artificial Neural Network Applied to Prediction of Fluorquinolone Antibacterial Activity by Topological Methods

inferredcites →https://doi.org/10.1042/bj2730627openalex-snapshot

Early steps of isoprenoid biosynthesis in Escherichia coli

inferredcites →https://doi.org/10.1128/aac.34.9.1660openalex-snapshot

Effects of lovastatin (mevinolin) on sterol levels and on activity of azoles in Saccharomyces cerevisiae

inferredcites →https://doi.org/10.1128/aac.37.3.580openalex-snapshot

Mevinolin (lovastatin) potentiates the antiproliferative effects of ketoconazole and terbinafine against Trypanosoma (Schizotrypanum) cruzi: in vitro and in vivo studies

inferredcites →https://doi.org/10.1128/aac.38.5.1144openalex-snapshot

3-Hydroxy-3-methylglutaryl coenzyme A reductase inhibitors lovastatin and simvastatin inhibit in vitro development of Plasmodium falciparum and Babesia divergens in human erythrocytes

inferredcites →https://doi.org/10.1159/000174667openalex-snapshot

The Role of Enoximone in the Treatment of Cardiogenic Shock

inferredcites →https://doi.org/10.1159/000174688openalex-snapshot

Lovastatin and Simvastatin - Inhibitors of HMG CoA Reductase and Cholesterol Biosynthesis

inferredcites →https://doi.org/10.1179/joc.1995.7.3.201openalex-snapshot

In VitroandIn VivoAntimicrobial Action of Fluphenazine

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The effects of tunicamycin, mevinolin and mevalonic acid on hmg-coa reductase activity and nuclear division in the myxomycete Physarum polycephalum

inferredcites →https://doi.org/10.2174/1573409052952288openalex-snapshot

Inductive Descriptors: 10 Successful Years in QSAR

inferredcites →https://doi.org/10.3390/91201034openalex-snapshot

Application of ‘Inductive’ QSAR Descriptors for Quantification of Antibacterial Activity of Cationic Polypeptides

inferredcites →https://doi.org/10.4315/0362-028x-66.10.1811openalex-snapshot

Antibacterial Activities of Phenolic Benzaldehydes and Benzoic Acids against Campylobacter jejuni, Escherichia coli, Listeria monocytogenes, and Salmonella enterica

inferredcites →https://doi.org/10.7164/antibiotics.41.1148openalex-snapshot

Growth inhibition of yeast by compactin (ML-236B) analogues.

What points at this work

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

inferred← citeshttps://doi.org/10.1002/chin.200630233openalex-snapshot

Can “Bacterial‐Metabolite‐Likeness” Model Improve Odds of “in Silico” Antibiotic Discovery?

inferred← citeshttps://doi.org/10.1007/s11030-006-9054-0openalex-snapshot

Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likeness

inferred← citeshttps://doi.org/10.1016/j.bioorg.2014.05.008openalex-snapshot

Applications of structure-based design to antibacterial drug discovery

inferred← citeshttps://doi.org/10.1021/cb2003576openalex-snapshot

Cheminformatics-Driven Discovery of Selective, Nanomolar Inhibitors for Staphylococcal Pyruvate Kinase

inferred← citeshttps://doi.org/10.1021/cb800240jopenalex-snapshot

Use of Artificial Intelligence in the Design of Small Peptide Antibiotics Effective against a Broad Spectrum of Highly Antibiotic-Resistant Superbugs

inferred← citeshttps://doi.org/10.1021/ci0601517openalex-snapshot

Comparative QSAR- and Fragments Distribution Analysis of Drugs, Druglikes, Metabolic Substances, and Antimicrobial Compounds

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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

inferred← citeshttps://doi.org/10.1021/ci700443vopenalex-snapshot

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

inferred← citeshttps://doi.org/10.1021/ci8001952openalex-snapshot

Using Molecular Docking, 3D-QSAR, and Cluster Analysis for Screening Structurally Diverse Data Sets of Pharmacological Interest

inferred← citeshttps://doi.org/10.1021/jm060961+openalex-snapshot

Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening

inferred← citeshttps://doi.org/10.1021/jm4004285openalex-snapshot

QSAR Modeling: Where Have You Been? Where Are You Going To?

inferred← citeshttps://doi.org/10.1021/jm7011485openalex-snapshot

An Updated Steroid Benchmark Set and Its Application in the Discovery of Novel Nanomolar Ligands of Sex Hormone-Binding Globulin

inferred← citeshttps://doi.org/10.1517/17460441.2012.648612openalex-snapshot

Going further than Lipinski's rule in drug design

inferred← citeshttps://doi.org/10.17714/gumusfenbil.776329openalex-snapshot

İkili parçacık sürü optimizasyonu ve destek vektör makinelerinin hibrit kullanımı ile ilaç keşfi için özellik seçimi

inferred← citeshttps://doi.org/10.2174/157341210791202645openalex-snapshot

Computer-Aided Design of Antimicrobial Peptides

inferred← citeshttps://doi.org/10.3389/fphar.2016.00266openalex-snapshot

MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites

inferred← citeshttps://doi.org/10.4155/fmc.10.194openalex-snapshot

Per Aspera Ad Astra : Application of Simplex Qsar Approach in Antiviral Research

inferred← citeshttps://doi.org/10.4155/fmc.11.15openalex-snapshot

Recent Trends and Observations in the Design of High-Quality Screening Collections

inferred← citeshttps://doi.org/10.4155/fseb2013.13.41openalex-snapshot

Inhibition of secreted phosphatases as promising novel drug targets for tuberculosis

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In Silico Pathway Analysis Predicts Metabolites that are Potential Antimicrobial Targets

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