Medicinal Chemistry Strategies to Disrupt the p53-MDM2/MDMX Interaction

Discovery of DS-5272 as a promising candidate: A potent and orally active p53–MDM2 interaction inhibitor

(2015) Masaki Miyazaki et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Design, synthesis and biological evaluation of novel potent MDM2/p53 small-molecule inhibitors

(2015) Yan A. Ivanenkov et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53–MDM2 interaction with a distinct binding mode

(2015) François Gessier et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

RG7112, a Small-Molecule Inhibitor of MDM2, Enhances Trabectedin Response in Soft Tissue Sarcomas

(2015) Antònia Obrador-Hevia et al.   CANCER INVESTIGATION

Results of the Phase I Trial of RG7112, a Small-Molecule MDM2 Antagonist in Leukemia

(2015) M. Andreeff et al.   CLINICAL CANCER RESEARCH

Effective Targeting of the P53-MDM2 Axis in Preclinical Models of Infant MLL-Rearranged Acute Lymphoblastic Leukemia

(2015) J. Richmond et al.   CLINICAL CANCER RESEARCH

Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents

(2015) Chanchal Mondal et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Oxazoloisoindolinones with in vitro antitumor activity selectively activate a p53-pathway through potential inhibition of the p53–MDM2 interaction

(2015) Joana Soares et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Small-molecule MDM2-p53 inhibitors: recent advances

(2015) Bian Zhang et al.   Future Medicinal Chemistry

Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors

(2015) Philipp Holzer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Enhanced cytotoxicity of prenylated chalcone against tumour cells via disruption of the p53–MDM2 interaction

(2015) Mariana Leão et al.   LIFE SCIENCES

Inhibition of Wild-Type p53-Expressing AML by the Novel Small Molecule HDM2 Inhibitor CGM097

(2015) E. Weisberg et al.   MOLECULAR CANCER THERAPEUTICS

Small Molecule Inhibition of MDM2-p53 Interaction Augments Radiation Response in Human Tumors

(2015) L. R. Werner et al.   MOLECULAR CANCER THERAPEUTICS

The MDM2 Inhibitor AMG 232 Demonstrates Robust Antitumor Efficacy and Potentiates the Activity of p53-Inducing Cytotoxic Agents

(2015) J. Canon et al.   MOLECULAR CANCER THERAPEUTICS

Inhibition of MDM2 by RG7388 confers hypersensitivity to X-radiation in xenograft models of childhood sarcoma

(2015) Doris Phelps et al.   PEDIATRIC BLOOD & CANCER

A tryptophanol-derived oxazolopiperidone lactam is cytotoxic against tumors via inhibition of p53 interaction with murine double minute proteins

(2015) Joana Soares et al.   PHARMACOLOGICAL RESEARCH

Design, Synthesis and Evaluation of 2,5-Diketopiperazines as Inhibitors of the MDM2-p53 Interaction

(2015) Mariell Pettersson et al.   PLoS One

Pre-clinical evaluation of the MDM2-p53 antagonist RG7388 alone and in combination with chemotherapy in neuroblastoma

(2015) Lindi Chen et al.   Oncotarget

Regulation of p53: a collaboration between Mdm2 and Mdmx

(2015) Dongsheng Pei et al.   Oncotarget

A novel drug discovery strategy: Mechanistic investigation of an enantiomeric antitumor agent targeting dual p53 and NF-κB pathways

(2015) Chunlin Zhuang et al.   Oncotarget

Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy

(2014) Zhuming Zhang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Discovery of 1-arylpyrrolidone derivatives as potent p53–MDM2 inhibitors based on molecule fusing strategy

(2014) Jin Li et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Core modification of substituted piperidines as Novel inhibitors of HDM2–p53 protein–protein interaction

(2014) Weidong Pan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

New small molecules, ISA27 and SM13, inhibit tumour growth inducing mitochondrial effects of p53

(2014) D Sorriento et al.   BRITISH JOURNAL OF CANCER

SAR405838: An Optimized Inhibitor of MDM2-p53 Interaction That Induces Complete and Durable Tumor Regression

(2014) S. Wang et al.   CANCER RESEARCH

Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain

(2014) Grzegorz Popowicz et al.   CELL CYCLE

Searching for Dual Inhibitors of the MDM2-p53 and MDMX-p53 Protein-Protein Interaction by a Scaffold-Hopping Approach

(2014) Andrey Zaytsev et al.   Chemical Biology & Drug Design

NMR-Based Approaches for the Identification and Optimization of Inhibitors of Protein–Protein Interactions

(2014) Elisa Barile et al.   CHEMICAL REVIEWS

Design, synthesis and in vitro and in vivo antitumour activity of 3-benzylideneindolin-2-one derivatives, a novel class of small-molecule inhibitors of the MDM2–p53 interaction

(2014) Guang-hui Zheng et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis and Biological Evaluation of Sulfamide and Triazole Benzodiazepines as Novel p53-MDM2 Inhibitors

(2014) Zhiliang Yu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Strategy of Daiichi Sankyo Discovery Research in Oncology

(2014) K. Akahane et al.   JAPANESE JOURNAL OF CLINICAL ONCOLOGY

Identification of antipsychotic drug fluspirilene as a potential p53-MDM2 inhibitor: a combined computational and experimental study

(2014) Sachin P. Patil et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Prospective virtual screening for novel p53–MDM2 inhibitors using ultrafast shape recognition

(2014) Sachin P. Patil et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2–p53 Inhibitor in Clinical Development

(2014) Daqing Sun et al.   JOURNAL OF MEDICINAL CHEMISTRY

Selective and Potent Morpholinone Inhibitors of the MDM2–p53 Protein–Protein Interaction

(2014) Ana Z. Gonzalez et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of a Small Molecule MDM2 Inhibitor (AMG 232) for Treating Cancer

(2014) Yosup Rew et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2–p53 Interaction

(2014) Yosup Rew et al.   JOURNAL OF MEDICINAL CHEMISTRY

Small-Molecule Inhibitors of the MDM2–p53 Protein–Protein Interaction (MDM2 Inhibitors) in Clinical Trials for Cancer Treatment

(2014) Yujun Zhao et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres

(2014) Ana Z. Gonzalez et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design of Chemically Stable, Potent, and Efficacious MDM2 Inhibitors That Exploit the Retro-Mannich Ring-Opening-Cyclization Reaction Mechanism in Spiro-oxindoles

(2014) Angelo Aguilar et al.   JOURNAL OF MEDICINAL CHEMISTRY

Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein–protein inhibitors of p53-MDM2

(2014) Sukriti Goyal et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structure of a Stapled Peptide Antagonist Bound to Nutlin-Resistant Mdm2

(2014) Sharon Min Qi Chee et al.   PLoS One

The structure of an MDM2–Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant

(2013) Burcu Anil et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Discovery of a new small-molecule inhibitor of p53–MDM2 interaction using a yeast-based approach

(2013) Mariana Leão et al.   BIOCHEMICAL PHARMACOLOGY

Design, synthesis and biological evaluation of novel 3,4,5-trisubstituted aminothiophenes as inhibitors of p53–MDM2 interaction. Part 2

(2013) Weisi Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Design, synthesis and biological evaluation of novel 3,4,5-trisubstituted aminothiophenes as inhibitors of p53–MDM2 interaction. Part 1

(2013) Weisi Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

MDM2 Small-Molecule Antagonist RG7112 Activates p53 Signaling and Regresses Human Tumors in Preclinical Cancer Models

(2013) C. Tovar et al.   CANCER RESEARCH

Novel simplified yeast-based assays of regulators of p53-MDMX interaction and p53 transcriptional activity

(2013) Mariana Leão et al.   FEBS Journal

The expanding role of yeast in cancer research and diagnosis: insights into the function of the oncosuppressors p53 and BRCA1/2

(2013) Nicoletta Guaragnella et al.   FEMS YEAST RESEARCH

Development of noncytotoxic PLGA nanoparticles to improve the effect of a new inhibitor of p53–MDM2 interaction

(2013) Ana M. Paiva et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Effective Screening Strategy Using Ensembled Pharmacophore Models Combined with Cascade Docking: Application to p53-MDM2 Interaction Inhibitors

(2013) Xin Xue et al.   Journal of Chemical Information and Modeling

Ligand Binding Mode Prediction by Docking: Mdm2/Mdmx Inhibitors as a Case Study

(2013) Nagakumar Bharatham et al.   Journal of Chemical Information and Modeling

Synthesis, in Vitro, and in Cell Studies of a New Series of [Indoline-3,2′-thiazolidine]-Based p53 Modulators

(2013) Alessia Bertamino et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular Similarity in Medicinal Chemistry

(2013) Gerald Maggiora et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of RG7388, a Potent and Selective p53–MDM2 Inhibitor in Clinical Development

(2013) Qingjie Ding et al.   JOURNAL OF MEDICINAL CHEMISTRY

A Potent Small-Molecule Inhibitor of the MDM2–p53 Interaction (MI-888) Achieved Complete and Durable Tumor Regression in Mice

(2013) Yujun Zhao et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular dynamics simulations studies and free energy analysis on inhibitors of MDM2–p53 interaction

(2013) Rui-Juan Niu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

α-Mangostin and Gambogic Acid as Potential Inhibitors of the p53–MDM2 Interaction Revealed by a Yeast Approach

(2013) Mariana Leão et al.   JOURNAL OF NATURAL PRODUCTS

Diastereomeric Spirooxindoles as Highly Potent and Efficacious MDM2 Inhibitors

(2013) Yujun Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stapled α−helical peptide drug development: A potent dual inhibitor of MDM2 and MDMX for p53-dependent cancer therapy

(2013) Yong S. Chang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development

(2013) Binh Vu et al.   ACS Medicinal Chemistry Letters

Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development

(2013) Zhuming Zhang et al.   ACS Medicinal Chemistry Letters

Stapled Peptides with Improved Potency and Specificity That Activate p53

(2012) Christopher J. Brown et al.   ACS Chemical Biology

Live-cell imaging of p53 interactions using a novel Venus-based bimolecular fluorescence complementation system

(2012) Joana Dias Amaral et al.   BIOCHEMICAL PHARMACOLOGY

The central valine concept provides an entry in a new class of non peptide inhibitors of the p53–MDM2 interaction

(2012) Pascal Furet et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

p53 regulation: Teamwork between RING domains of Mdm2 and MdmX

(2012) Xinjiang Wang   CELL CYCLE

Radiosensitization of wildtype p53 cancer cells by the MDM2-inhibitor PXN727 is associated with altered heat shock protein 70 (Hsp70) levels

(2012) Daniela Schilling et al.   CELL STRESS & CHAPERONES

Identification of FDA-approved Drugs that Computationally Bind to MDM2

(2012) Wayne A. Warner et al.   Chemical Biology & Drug Design

QSAR Models for isoindolinone-based p53-MDM2 Interaction Inhibitors Using Linear and Non-linear Statistical Methods

(2012) Xiaowu Dong et al.   Chemical Biology & Drug Design

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

(2012) Xuan-Yu Meng et al.   Current Computer-Aided Drug Design

New Therapeutic Strategies for Cancer and Neurodegeneration Emerging from Yeast Cell-based Systems

(2012) Clara Pereira et al.   CURRENT PHARMACEUTICAL DESIGN

New insights into cancer-related proteins provided by the yeast model

(2012) Clara Pereira et al.   FEBS Journal

Mdm2 inhibitors synergize with topoisomerase II inhibitors to induce p53-independent pancreatic cancer cell death

(2012) Laura Conradt et al.   INTERNATIONAL JOURNAL OF CANCER

Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors

(2012) Hui Sun Lee et al.   Journal of Chemical Information and Modeling

MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement

(2012) Paulette A. Greenidge et al.   Journal of Chemical Information and Modeling

Docking and scoring with ICM: the benchmarking results and strategies for improvement

(2012) Marco A. C. Neves et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Virtual screening of low molecular weight mushrooms compounds as potential Mdm2 inhibitors

(2012) Hugo J.C. Froufe et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Structure-Based Design of Novel Inhibitors of the MDM2–p53 Interaction

(2012) Yosup Rew et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery, Synthesis, and Biological Evaluation of Orally Active Pyrrolidone Derivatives as Novel Inhibitors of p53–MDM2 Protein–Protein Interaction

(2012) Chunlin Zhuang et al.   JOURNAL OF MEDICINAL CHEMISTRY

AM-8553: A Novel MDM2 Inhibitor with a Promising Outlook for Potential Clinical Development

(2012) Denzil Bernard et al.   JOURNAL OF MEDICINAL CHEMISTRY

Effect of the MDM2 antagonist RG7112 on the P53 pathway in patients with MDM2-amplified, well-differentiated or dedifferentiated liposarcoma: an exploratory proof-of-mechanism study

(2012) Isabelle Ray-Coquard et al.   LANCET ONCOLOGY

Simulating Molecular Mechanisms of the MDM2-Mediated Regulatory Interactions: A Conformational Selection Model of the MDM2 Lid Dynamics

(2012) Gennady M. Verkhivker   PLoS One

Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization

(2012) B. Graves et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Identification of novel inhibitors of p53–MDM2 interaction facilitated by pharmacophore-based virtual screening combining molecular docking strategy

(2012) Weisi Wang et al.   MedChemComm

Setting Up a Bioluminescence Resonance Energy Transfer High throughput Screening Assay to Search for Protein/Protein Interaction Inhibitors in Mammalian Cells

(2012) Cyril Couturier et al.   Frontiers in Endocrinology

HDM-2 inhibition suppresses expression of ribonucleotide reductase subunit M2, and synergistically enhances gemcitabine-induced cytotoxicity in mantle cell lymphoma

(2011) R. J. Jones et al.   BLOOD

Synthesis and biological evaluation of thio-benzodiazepines as novel small molecule inhibitors of the p53–MDM2 protein–protein interaction

(2011) Chunlin Zhuang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Isoindolinone Inhibitors of the Murine Double Minute 2 (MDM2)-p53 Protein−Protein Interaction: Structure−Activity Studies Leading to Improved Potency

(2011) Ian R. Hardcastle et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular modeling and molecular dynamics simulation studies on pyrrolopyrimidine-based α-helix mimetic as dual inhibitors of MDM2 and MDMX

(2011) Shao-Yong Lu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structural determinants of benzodiazepinedione/peptide-based p53-HDM2 inhibitors using 3D-QSAR, docking and molecular dynamics

(2011) Fangfang Wang et al.   JOURNAL OF MOLECULAR MODELING

Structure of the Stapled p53 Peptide Bound to Mdm2

(2011) Sohee Baek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small molecule agents targeting the p53-MDM2 pathway for cancer therapy

(2011) Weisi Wang et al.   MEDICINAL RESEARCH REVIEWS

Expanding the horizon of chemotherapeutic targets: From MDM2 to MDMX (MDM4)

(2011) Antonio Macchiarulo et al.   MedChemComm

Characterization and Optimization of a Novel Protein–Protein Interaction Biosensor High-Content Screening Assay to Identify Disruptors of the Interactions Between p53 and hDM2

(2010) Drew D. Dudgeon et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Improvement of the synthesis and pharmacokinetic properties of chromenotriazolopyrimidine MDM2-p53 protein-protein inhibitors

(2010) Hilary P. Beck et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Using BRET to study chemical compound-induced disruptions of the p53-HDM2 interactions in live cells

(2010) Anne Mazars et al.   Biotechnology Journal

A Stapled p53 Helix Overcomes HDMX-Mediated Suppression of p53

(2010) Federico Bernal et al.   CANCER CELL

The molecular dynamics of MDM2

(2010) Judith Nicholson et al.   CELL CYCLE

Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery

(2010) Grzegorz M. Popowicz et al.   CELL CYCLE

Pharmacophore Based Drug Design Approach as a Practical Process in Drug Discovery

(2010) Qingzhi Gao et al.   Current Computer-Aided Drug Design

Drug Discovery and Design for Complex Diseases through QSAR Computational Methods

(2010) Cristian R. Munteanu et al.   CURRENT PHARMACEUTICAL DESIGN

MDM2 inhibitor MI-319 in combination with cisplatin is an effective treatment for pancreatic cancer independent of p53 function

(2010) Asfar S. Azmi et al.   EUROPEAN JOURNAL OF CANCER

Fluorescence polarization assays in small molecule screening

(2010) Wendy A Lea et al.   Expert Opinion on Drug Discovery

Identification and Characterization of the First Small Molecule Inhibitor of MDMX

(2010) Damon Reed et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Interaction Fields and 3D-QSAR Studies of p53−MDM2 Inhibitors Suggest Additional Features of Ligand−Target Interaction

(2010) Cristina Dezi et al.   Journal of Chemical Information and Modeling

A computational analysis of the binding model of MDM2 with inhibitors

(2010) Guodong Hu et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Identification of the Spiro(oxindole-3,3′-thiazolidine)-Based Derivatives as Potential p53 Activity Modulators

(2010) Isabel Gomez-Monterrey et al.   JOURNAL OF MEDICINAL CHEMISTRY

Challenges and advances in computational docking: 2009 in review

(2010) Elizabeth Yuriev et al.   JOURNAL OF MOLECULAR RECOGNITION

Novel Pyrrolopyrimidine-Based α-Helix Mimetics: Cell-Permeable Inhibitors of Protein−Protein Interactions

(2010) Ji Hoon Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The p53 orchestra: Mdm2 and Mdmx set the tone

(2010) Mark Wade et al.   TRENDS IN CELL BIOLOGY

Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods

(2010) Christelle Reynès et al.   PLoS Computational Biology

Identification of a disruptor of the MDM2-p53 protein–protein interaction facilitated by high-throughput in silico docking

(2009) Harshani R. Lawrence et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Cytoplasmic tethering is involved in synergistic inhibition of p53 by Mdmx and Mdm2

(2009) Chihiro Ohtsubo et al.   CANCER SCIENCE

Modes of p53 Regulation

(2009) Jan-Philipp Kruse et al.   CELL

Facile synthesis of stapled, structurally reinforced peptide helices via a photoinduced intramolecular 1,3-dipolar cycloaddition reaction

(2009) Michael M. Madden et al.   CHEMICAL COMMUNICATIONS

Rationalizing the chemical space of protein–protein interaction inhibitors

(2009) Olivier Sperandio et al.   DRUG DISCOVERY TODAY

Discovery of Small Molecule Inhibitors of Protein−Protein Interactions Using Combined Ligand and Target Score Normalization

(2009) Fergal P. Casey et al.   Journal of Chemical Information and Modeling

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

(2009) Jason B. Cross et al.   Journal of Chemical Information and Modeling

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Potent and Orally Active Small-Molecule Inhibitors of the MDM2−p53 Interaction

(2009) Shanghai Yu et al.   JOURNAL OF MEDICINAL CHEMISTRY

An MDM2 antagonist (MI-319) restores p53 functions and increases the life span of orally treated follicular lymphoma bearing animals

(2009) Ramzi M Mohammad et al.   Molecular Cancer

Small-Molecule Inhibitors of the MDM2-p53 Protein-Protein Interaction to Reactivate p53 Function: A Novel Approach for Cancer Therapy

(2008) Sanjeev Shangary et al.   Annual Review of Pharmacology and Toxicology

Isoquinolin‐1‐one Inhibitors of the MDM2–p53 Interaction

(2008) Ulli Rothweiler et al.   ChemMedChem

Pharmacophore-Based Virtual Screening

(2008) Hongmao Sun   CURRENT MEDICINAL CHEMISTRY

Recent Advances in QSAR and Their Applications in Predicting the Activities of Chemical Molecules, Peptides and Proteins for Drug Design

(2008) Qi-Shi Du et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

(2008) Santiago Vilar et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Computational Validation of the Importance of Absolute Stereochemistry in Virtual Screening

(2008) Wesley H. Brooks et al.   Journal of Chemical Information and Modeling

Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening

(2008) I-Jen Chen et al.   Journal of Chemical Information and Modeling

Temporal activation of p53 by a specific MDM2 inhibitor is selectively toxic to tumors and leads to complete tumor growth inhibition

(2008) S. Shangary et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR

(2008) Subhash Ajmani et al.   Quantitative structure-activity relationships & combinatorial science