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Inverse Virtual Screening of Antitumor Targets: Pilot Study on a Small Database of Natural Bioactive Compounds

https://doi.org/10.1021/np100935s
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What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-bopenalex-snapshot
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
inferredcites →https://doi.org/10.1002/1097-0134(20010215)42:3<296::aid-prot20>3.0.co;2-fopenalex-snapshot
Design, docking, and evaluation of multiple libraries against multiple targets
inferredcites →https://doi.org/10.1002/1097-0134(20010501)43:2<217::aid-prot1032>3.0.co;2-gopenalex-snapshot
Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
inferredcites →https://doi.org/10.1002/bscb.19750840711openalex-snapshot
Chemical Studies of Marine Invertebrates ‐ XIII 2 ‐ Hydroxynephtenol, a Novel Cembrane Diterpene from the Soft Coral Litophyton Viridis (Coelenterata, Octocorallia, Alcyonacea)
inferredcites →https://doi.org/10.1002/jcc.20634openalex-snapshot
A semiempirical free energy force field with charge‐based desolvation
inferredcites →https://doi.org/10.1002/jcc.21334openalex-snapshot
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
inferredcites →https://doi.org/10.1002/prot.10625openalex-snapshot
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inferredcites →https://doi.org/10.1002/qsar.200730055openalex-snapshot
A Combined Virtual Screening 2D and 3D QSAR Methodology for the Selection of New Anticonvulsant Candidates from a Natural Product Library
inferredcites →https://doi.org/10.1016/j.bmcl.2007.12.055openalex-snapshot
Synthesis and cytotoxic activity of a new series of topoisomerase I inhibitors
inferredcites →https://doi.org/10.1016/j.canlet.2004.10.025openalex-snapshot
Involvement of PKC and ROS in the cytotoxic mechanism of anti-leukemic decursin and its derivatives and their structure–activity relationship in human K562 erythroleukemia and U937 myeloleukemia cells
inferredcites →https://doi.org/10.1016/j.chembiol.2007.10.010openalex-snapshot
Inverse In Silico Screening for Identification of Kinase Inhibitor Targets
inferredcites →https://doi.org/10.1016/j.ejmech.2004.02.011openalex-snapshot
Synthesis and cytotoxic activity of substituted 7-aryliminomethyl derivatives of camptothecin
inferredcites →https://doi.org/10.1016/j.jmgm.2010.09.004openalex-snapshot
Evaluation of various inverse docking schemes in multiple targets identification
inferredcites →https://doi.org/10.1016/j.phytol.2008.12.002openalex-snapshot
Accessing target information by virtual parallel screening—The impact on natural product research
inferredcites →https://doi.org/10.1016/j.str.2004.12.017openalex-snapshot
Structure and Inhibition of the Human Cell Cycle Checkpoint Kinase, Wee1A Kinase
inferredcites →https://doi.org/10.1016/j.tet.2009.02.008openalex-snapshot
Oxygenated cembranoids of the decaryiol type from the Indonesian soft coral Lobophytum sp.
inferredcites →https://doi.org/10.1016/j.tetlet.2006.11.164openalex-snapshot
First total synthesis of topopyrone C
inferredcites →https://doi.org/10.1016/s0031-9422(01)00246-1openalex-snapshot
Monoterpene coumarins from Ferula ferulago
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Heme-Coordinating Inhibitors of Neuronal Nitric Oxide Synthase. Iron−Thioether Coordination Is Stabilized by Hydrophobic Contacts without Increased Inhibitor Potency
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3-Aminopyrrolidinone Farnesyltransferase Inhibitors: Design of Macrocyclic Compounds with Improved Pharmacokinetics and Excellent Cell Potency
inferredcites →https://doi.org/10.1021/jm0108092openalex-snapshot
Novel 7-Oxyiminomethyl Derivatives of Camptothecin with Potent in Vitro and in Vivo Antitumor Activity
inferredcites →https://doi.org/10.1021/jm0489915openalex-snapshot
Antitumor Effects of Two Novel Naturally Occurring Terpene Quinones Isolated from the Mediterranean Ascidian Aplidium conicum
inferredcites →https://doi.org/10.1021/jm701494bopenalex-snapshot
Structure-Based Virtual Screening for the Discovery of Natural Inhibitors for Human Rhinovirus Coat Protein
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Sulcatin, a Novel Antiproliferative N-Methylpyridinium Alkaloid from the Ascidian Microcosmus vulgaris
inferredcites →https://doi.org/10.1038/nrd3139openalex-snapshot
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inferredcites →https://doi.org/10.1055/s-2006-951772openalex-snapshot
Antibacterial and Anticoagulant Activities of Coumarins Isolated from the Flowers of Magydaris tomentosa
inferredcites →https://doi.org/10.1055/s-2007-969533openalex-snapshot
Coumarin Derivatives fromEryngium campestre1
inferredcites →https://doi.org/10.1073/pnas.242259599openalex-snapshot
The mechanism of topoisomerase I poisoning by a camptothecin analog
inferredcites →https://doi.org/10.1093/nar/gkl114openalex-snapshot
TarFisDock: a web server for identifying drug targets with docking approach
inferredcites →https://doi.org/10.1111/j.1749-6632.2000.tb07023.xopenalex-snapshot
Campthotecin Design and Delivery Approaches for Elevating Anti‐Topoisomerase I Activities in Vivo
inferredcites →https://doi.org/10.1159/000011923openalex-snapshot
Topotecan – A Novel Topoisomerase I Inhibitor: Pharmacology and Clinical Experience
inferredcites →https://doi.org/10.3390/md8020285openalex-snapshot
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inferredcites →https://doi.org/10.3390/molecules14030939openalex-snapshot
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What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527806539.ch6copenalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cbdv.202401854openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cplu.202400234openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/ejoc.202000469openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/ejoc.202100245openalex-snapshot
Addressing the Target Identification and Accelerating the Repositioning of Anti‐Inflammatory/Anti‐Cancer Organic Compounds by Computational Approaches
inferred← citeshttps://doi.org/10.1002/minf.201300041openalex-snapshot
Progress in the Visualization and Mining of Chemical and Target Spaces
inferred← citeshttps://doi.org/10.1002/qua.24205openalex-snapshot
Inverse virtual screening studies of selected natural compounds from cerrado
inferred← citeshttps://doi.org/10.1002/slct.202304932openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/7653_2018_19openalex-snapshot
Computational Methods for Multi-Target Drug Designing Against Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1007/978-1-4939-8630-9_13openalex-snapshot
Exploring Polypharmacology in Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-031-04998-9_12openalex-snapshot
Polypharmacology in Drug Design and Discovery—Basis for Rational Design of Multitarget Drugs
inferred← citeshttps://doi.org/10.1007/978-3-031-04998-9_15openalex-snapshot
Polypharmacology and Natural Products
inferred← citeshttps://doi.org/10.1007/s00894-017-3253-8openalex-snapshot
Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database
inferred← citeshttps://doi.org/10.1007/s11224-022-01889-0openalex-snapshot
Synthesis and inverse virtual screening of new bi-cyclic structures towards cancer-relevant cellular targets
inferred← citeshttps://doi.org/10.1007/s41048-017-0045-8openalex-snapshot
Docking-based inverse virtual screening: methods, applications, and challenges
inferred← citeshttps://doi.org/10.1016/b978-0-12-801814-9.00008-8openalex-snapshot
Transcriptomics and Epigenomics
inferred← citeshttps://doi.org/10.1016/b978-0-12-822312-3.00005-9openalex-snapshot
Multi-Target Drugs as Master Keys to Complex Diseases: Inverse Docking Strategies and Opportunities
inferred← citeshttps://doi.org/10.1016/j.bioorg.2021.104897openalex-snapshot
Inverse Virtual Screening for the rapid re-evaluation of the presumed biological safe profile of natural products. The case of steviol from Stevia rebaudiana glycosides on farnesoid X receptor (FXR)
inferred← citeshttps://doi.org/10.1016/j.biotechadv.2015.05.006openalex-snapshot
Panel docking of small-molecule libraries — Prospects to improve efficiency of lead compound discovery
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.03.072openalex-snapshot
Inverse Virtual Screening allows the discovery of the biological activity of natural compounds
inferred← citeshttps://doi.org/10.1016/j.bmc.2018.06.019openalex-snapshot
Identification by Inverse Virtual Screening of magnolol-based scaffold as new tankyrase-2 inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2023.129171openalex-snapshot
Target identification by structure-based computational approaches: Recent advances and perspectives
inferred← citeshttps://doi.org/10.1016/j.drudis.2013.01.008openalex-snapshot
Shifting from the single to the multitarget paradigm in drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.04.018openalex-snapshot
Discovery of new erbB4 inhibitors: Repositioning an orphan chemical library by inverse virtual screening
inferred← citeshttps://doi.org/10.1016/j.ejmech.2019.01.066openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119136openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.phrs.2016.07.022openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.xcrm.2026.102833openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.08.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01355openalex-snapshot
Deep Learning-Based Ligand Design Using Shared Latent Implicit Fingerprints from Collaborative Filtering
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00491openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00969openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00428openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c01344openalex-snapshot
Untargeted Diversity-Oriented Synthesis for the Discovery of New Antitumor Agents: An Integrated Approach of Inverse Virtual Screening, Bioinformatics, and Omics for Target Deconvolution
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.8b00234openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsomega.0c04719openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsomega.7b00010openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci400047wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jm201238popenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jm500869xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ol5007345openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41598-017-11688-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d0ra09010gopenalex-snapshot
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inferred← citeshttps://doi.org/10.1080/07391102.2023.2206287openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/14756366.2018.1518960openalex-snapshot
iVS analysis to evaluate the impact of scaffold diversity in the binding to cellular targets relevant in cancer
inferred← citeshttps://doi.org/10.1080/14756366.2020.1760261openalex-snapshot
Repurposing strategies on pyridazinone-based series by pharmacophore- and structure-driven screening
inferred← citeshttps://doi.org/10.1093/bib/bbx045openalex-snapshot
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inferred← citeshttps://doi.org/10.1093/bib/bbz103openalex-snapshot
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inferred← citeshttps://doi.org/10.1093/nar/gkt791openalex-snapshot
Sequence selectivity of the cleavage sites induced by topoisomerase I inhibitors: a molecular dynamics study
inferred← citeshttps://doi.org/10.1109/pdp.2012.57openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/bph.13824openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/cbdd.13113openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/cbdd.13326openalex-snapshot
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inferred← citeshttps://doi.org/10.1155/2022/2832889openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/1756-0500-4-445openalex-snapshot
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inferred← citeshttps://doi.org/10.21203/rs.3.rs-142256/v1openalex-snapshot
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inferred← citeshttps://doi.org/10.3389/fphar.2018.00218openalex-snapshot
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inferred← citeshttps://doi.org/10.3389/fvets.2022.972245openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/biom11101490openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ijms232012351openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ijms24108814openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/md21060318openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules20021872openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules24071445openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules25102365openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/plants11131671openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/plants14131901openalex-snapshot
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inferred← citeshttps://doi.org/10.53846/goediss-9568openalex-snapshot
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inferred← citeshttps://doi.org/10.70675/f0567b86z4fdfz4cc8zb716z49ec4d7b8548openalex-snapshot
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