Discovery of a Dual Tubulin and Poly(ADP-Ribose) Polymerase-1 Inhibitor by Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, and Biological Evaluation
Published 2021 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Discovery of a Dual Tubulin and Poly(ADP-Ribose) Polymerase-1 Inhibitor by Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, and Biological Evaluation
Authors
Keywords
-
Journal
JOURNAL OF MEDICINAL CHEMISTRY
Volume 64, Issue 21, Pages 15702-15715
Publisher
American Chemical Society (ACS)
Online
2021-10-21
DOI
10.1021/acs.jmedchem.1c00932
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Global cancer statistics 2020: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries
- (2021) Hyuna Sung et al. CA-A CANCER JOURNAL FOR CLINICIANS
- An NRP1/MDM2‐Targeted D‐Peptide Supramolecular Nanomedicine for High‐Efficacy and Low‐Toxic Liver Cancer Therapy
- (2021) Yunjiang Zhou et al. Advanced Healthcare Materials
- Recent Progress on Tubulin Inhibitors with Dual Targeting Capabilities for Cancer Therapy
- (2021) Wen Shuai et al. JOURNAL OF MEDICINAL CHEMISTRY
- Cancer statistics, 2020
- (2020) Rebecca L. Siegel et al. CA-A CANCER JOURNAL FOR CLINICIANS
- Design, synthesis and in vitro biological evaluation of quinazolinone derivatives as EGFR inhibitors for antitumor treatment
- (2020) Yi Le et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types
- (2020) Guan Wang et al. JOURNAL OF MEDICINAL CHEMISTRY
- Discovery of a Dual Tubulin Polymerization and Cell Division Cycle 20 Homologue Inhibitor via Structural Modification on Apcin
- (2020) Pan Huang et al. JOURNAL OF MEDICINAL CHEMISTRY
- Antioxidant functions of DHHC3 suppress anti-cancer drug activities
- (2020) Chandan Sharma et al. CELLULAR AND MOLECULAR LIFE SCIENCES
- Design, synthesis, and bioevaluation of pyrazolo[1,5-a]pyrimidine derivatives as tubulin polymerization inhibitors targeting the colchicine binding site with potent anticancer activities
- (2020) Gang Li et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Veliparib with carboplatin and paclitaxel in BRCA-mutated advanced breast cancer (BROCADE3): a randomised, double-blind, placebo-controlled, phase 3 trial
- (2020) Véronique Diéras et al. LANCET ONCOLOGY
- Cink4T, a quinazolinone-based dual inhibitor of Cdk4 and tubulin polymerization, identified via ligand-based virtual screening, for efficient anticancer therapy
- (2019) Vinay Sonawane et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Discovery, Optimization, and Evaluation of Potent and Highly Selective PI3Kγ–PI3Kδ Dual Inhibitors
- (2019) Hong Jia et al. JOURNAL OF MEDICINAL CHEMISTRY
- Gemcitabine, Cisplatin, and nab-Paclitaxel for the Treatment of Advanced Biliary Tract Cancers
- (2019) Rachna T. Shroff et al. JAMA Oncology
- Cancer treatment and survivorship statistics, 2019
- (2019) Kimberly D. Miller et al. CA-A CANCER JOURNAL FOR CLINICIANS
- PARP Inhibitors in Ovarian Cancer: The Route to “Ithaca”
- (2019) Boussios et al. Diagnostics
- Tubulin inhibitors as novel anticancer agents: an overview on patents (2013-2018)
- (2019) Kashif Haider et al. EXPERT OPINION ON THERAPEUTIC PATENTS
- Structure-Based Pharmacophore Design and Virtual Screening for Novel Tubulin Inhibitors with Potential Anticancer Activity
- (2019) Yunjiang Zhou et al. MOLECULES
- A Redox‐Triggered Bispecific Supramolecular Nanomedicine Based on Peptide Self‐Assembly for High‐Efficacy and Low‐Toxic Cancer Therapy
- (2019) Da‐Song Yang et al. ADVANCED FUNCTIONAL MATERIALS
- Design, synthesis and biological evaluation of homoerythrina alkaloid derivatives bearing a triazole moiety as PARP-1 inhibitors and as potential antitumor drugs
- (2019) Shuai Li et al. BIOORGANIC CHEMISTRY
- Veliparib in ovarian cancer: a new synthetically lethal therapeutic approach
- (2019) Stergios Boussios et al. INVESTIGATIONAL NEW DRUGS
- 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation
- (2018) Timothée Naret et al. JOURNAL OF MEDICINAL CHEMISTRY
- In Vivo and Mechanistic Studies on Antitumor Lead 7-Methoxy-4-(2-methylquinazolin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one and Its Modification as a Novel Class of Tubulin-Binding Tumor-Vascular Disrupting Agents
- (2017) Mu-Tian Cui et al. JOURNAL OF MEDICINAL CHEMISTRY
- Olaparib in combination with paclitaxel in patients with advanced gastric cancer who have progressed following first-line therapy (GOLD): a double-blind, randomised, placebo-controlled, phase 3 trial
- (2017) Yung-Jue Bang et al. LANCET ONCOLOGY
- The multifaceted roles of PARP1 in DNA repair and chromatin remodelling
- (2017) Arnab Ray Chaudhuri et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
- PARP inhibitors: Synthetic lethality in the clinic
- (2017) Christopher J. Lord et al. SCIENCE
- Combination therapy in combating cancer
- (2017) Reza Bayat Mokhtari et al. Oncotarget
- BRCA somatic mutations and epigenetic BRCA modifications in serous ovarian cancer
- (2016) M. Moschetta et al. ANNALS OF ONCOLOGY
- Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors
- (2016) Liping H. Pettus et al. JOURNAL OF MEDICINAL CHEMISTRY
- Design, Synthesis, and Biological Evaluation of 1-Methyl-1,4-dihydroindeno[1,2-c]pyrazole Analogues as Potential Anticancer Agents Targeting Tubulin Colchicine Binding Site
- (2016) Yan-Na Liu et al. JOURNAL OF MEDICINAL CHEMISTRY
- Blocking Blood Flow to Solid Tumors by Destabilizing Tubulin: An Approach to Targeting Tumor Growth
- (2016) María-Jesús Pérez-Pérez et al. JOURNAL OF MEDICINAL CHEMISTRY
- The PARP inhibitor PJ-34 sensitizes cells to UVA-induced phototoxicity by a PARP independent mechanism
- (2016) Petra Lakatos et al. MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS
- PJ-34 inhibits PARP-1 expression and ERK phosphorylation in glioma-conditioned brain microvascular endothelial cells
- (2015) Carla Motta et al. EUROPEAN JOURNAL OF PHARMACOLOGY
- Paclitaxel Plus Carboplatin Versus Paclitaxel Plus Cisplatin in Metastatic or Recurrent Cervical Cancer: The Open-Label Randomized Phase III Trial JCOG0505
- (2015) Ryo Kitagawa et al. JOURNAL OF CLINICAL ONCOLOGY
- Design, Synthesis, in Vitro, and in Vivo Anticancer and Antiangiogenic Activity of Novel 3-Arylaminobenzofuran Derivatives Targeting the Colchicine Site on Tubulin
- (2015) Romeo Romagnoli et al. JOURNAL OF MEDICINAL CHEMISTRY
- Niraparib: A Poly(ADP-ribose) Polymerase (PARP) Inhibitor for the Treatment of Tumors with Defective Homologous Recombination
- (2015) Philip Jones et al. JOURNAL OF MEDICINAL CHEMISTRY
- Olaparib combined with chemotherapy for recurrent platinum-sensitive ovarian cancer: a randomised phase 2 trial
- (2015) Amit M Oza et al. LANCET ONCOLOGY
- An update on PARP inhibitors for the treatment of cancer
- (2015) Marcia Hall et al. OncoTargets and Therapy
- Multi-target pharmacology: possibilities and limitations of the “skeleton key approach” from a medicinal chemist perspective
- (2015) Alan Talevi Frontiers in Pharmacology
- Recent developments in tubulin polymerization inhibitors: An overview
- (2014) Ramandeep Kaur et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy
- (2014) Erchang Shang et al. Journal of Chemical Information and Modeling
- Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening
- (2014) Shijie Chen et al. JOURNAL OF MEDICINAL CHEMISTRY
- Polypharmacology: Challenges and Opportunities in Drug Discovery
- (2014) Andrew Anighoro et al. JOURNAL OF MEDICINAL CHEMISTRY
- Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors
- (2013) Na Ye et al. JOURNAL OF MEDICINAL CHEMISTRY
- Synthesis and Biological Evaluation of Aryloxazole Derivatives as Antimitotic and Vascular-Disrupting Agents for Cancer Therapy
- (2013) Min Jeong Choi et al. JOURNAL OF MEDICINAL CHEMISTRY
- Synthesis and Structure–Activity Relationships of N-Methyl-5,6,7-trimethoxylindoles as Novel Antimitotic and Vascular Disrupting Agents
- (2013) Deng-Gao Zhao et al. JOURNAL OF MEDICINAL CHEMISTRY
- Docking-Based Virtual Screening of Covalently Binding Ligands: An Orthogonal Lead Discovery Approach
- (2013) Jörg Schröder et al. JOURNAL OF MEDICINAL CHEMISTRY
- Polypharmacology – Foe or Friend?
- (2013) Jens-Uwe Peters JOURNAL OF MEDICINAL CHEMISTRY
- Plant-derived vascular disrupting agents: compounds, actions, and clinical trials
- (2013) Verena K. Kretzschmann et al. PHYTOCHEMISTRY REVIEWS
- Beyond DNA Repair: Additional Functions of PARP-1 in Cancer
- (2013) Alice N. Weaver et al. Frontiers in Oncology
- Designed Multiple Ligands: Basic Research vs Clinical Outcomes
- (2012) L. Costantino et al. CURRENT MEDICINAL CHEMISTRY
- Phase II trial of combretastatin A4 phosphate, carboplatin, and paclitaxel in patients with platinum-resistant ovarian cancer
- (2011) M. Zweifel et al. ANNALS OF ONCOLOGY
- Hallmarks of Cancer: The Next Generation
- (2011) Douglas Hanahan et al. CELL
- Designed Multiple Ligands for Cancer Therapy
- (2011) N. M. O'Boyle et al. CURRENT MEDICINAL CHEMISTRY
- A perspective on vascular disrupting agents that interact with tubulin: preclinical tumor imaging and biological assessment
- (2011) Ralph P. Mason et al. Integrative Biology
- Poly(ADP-ribose) polymerase inhibitors as promising cancer therapeutics
- (2010) Jin-xue He et al. ACTA PHARMACOLOGICA SINICA
- A Phase Ib trial of CA4P (combretastatin A-4 phosphate), carboplatin and paclitaxel in patients with advanced cancer
- (2010) G J Rustin et al. BRITISH JOURNAL OF CANCER
- Colchicine poisoning: the dark side of an ancient drug
- (2010) Yaron Finkelstein et al. CLINICAL TOXICOLOGY
- Oral poly(ADP-ribose) polymerase inhibitor olaparib in patients with BRCA1 or BRCA2 mutations and advanced breast cancer: a proof-of-concept trial
- (2010) Andrew Tutt et al. LANCET
- Microtubule-binding agents: a dynamic field of cancer therapeutics
- (2010) Charles Dumontet et al. NATURE REVIEWS DRUG DISCOVERY
- Class III β-tubulin expression and in vitro resistance to microtubule targeting agents
- (2009) C Stengel et al. BRITISH JOURNAL OF CANCER
- Antivascular Actions of Microtubule-Binding Drugs
- (2009) E. L. Schwartz CLINICAL CANCER RESEARCH
- Discovery of 2-{4-[(3S)-Piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): A Novel Oral Poly(ADP-ribose)polymerase (PARP) Inhibitor Efficacious in BRCA-1 and -2 Mutant Tumors
- (2009) Philip Jones et al. JOURNAL OF MEDICINAL CHEMISTRY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More