Structure-based design and classifications of small molecules regulating the circadian rhythm period

A CLOCK-binding small molecule disrupts the interaction between CLOCK and BMAL1 and enhances circadian rhythm amplitude

(2020) Yagmur Umay Doruk et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Virtual discovery of melatonin receptor ligands to modulate circadian rhythms

(2020) Reed M. Stein et al.   NATURE

CRY1‐CBS binding regulates circadian clock function and metabolism

(2020) Sibel Cal‐Kayitmazbatir et al.   FEBS Journal

Isoform-selective regulation of mammalian cryptochromes

(2020) Simon Miller et al.   Nature Chemical Biology

Human CRY1 variants associate with attention deficit/hyperactivity disorder

(2020) O. Emre Onat et al.   JOURNAL OF CLINICAL INVESTIGATION

The Arg293 of Cryptochrome1 is responsible for the allosteric regulation of CLOCK-CRY1 binding in circadian rhythm

(2020) Seref Gul et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Association between circadian disruption and diseases: A narrative review

(2020) Yuchao Hou et al.   LIFE SCIENCES

Generation of Human CRY1 and CRY2 Knockout Cells Using Duplex CRISPR/Cas9 Technology

(2019) Teresa Börding et al.   Frontiers in Physiology

QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease

(2019) Ignacio Ponzoni et al.   Scientific Reports

Machine learning in chemoinformatics and drug discovery

(2018) Yu-Chen Lo et al.   DRUG DISCOVERY TODAY

An evolutionary hotspot defines functional differences between CRYPTOCHROMES

(2018) Clark Rosensweig et al.   Nature Communications

Opposite Carcinogenic Effects of Circadian Clock Gene BMAL1

(2018) Tuba Korkmaz et al.   Scientific Reports

Interpretation of Quantitative Structure–Activity Relationship Models: Past, Present, and Future

(2017) Pavel Polishchuk   Journal of Chemical Information and Modeling

The Photolyase/Cryptochrome Family of Proteins as DNA Repair Enzymes and Transcriptional Repressors

(2017) Ibrahim Halil Kavakli et al.   PHOTOCHEMISTRY AND PHOTOBIOLOGY

Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1

(2017) Alicia K. Michael et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Small Molecule Nobiletin Targets the Molecular Oscillator to Enhance Circadian Rhythms and Protect against Metabolic Syndrome

(2016) Baokun He et al.   Cell Metabolism

CH Activation Generates Period-Shortening Molecules That Target Cryptochrome in the Mammalian Circadian Clock

(2015) Tsuyoshi Oshima et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Chemical chronobiology: Toward drugs manipulating time

(2015) Thomas Wallach et al.   FEBS LETTERS

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

(2015) Jie Dong et al.   Journal of Cheminformatics

CRY1, CRY2 and PRKCDBP genetic variants in metabolic syndrome

(2014) Leena Kovanen et al.   HYPERTENSION RESEARCH

Improved vectors and genome-wide libraries for CRISPR screening

(2014) Neville E Sanjana et al.   NATURE METHODS

The trouble with circadian clock dysfunction: Multiple deleterious effects on the brain and body

(2014) Erin L. Zelinski et al.   NEUROSCIENCE AND BIOBEHAVIORAL REVIEWS

Strengths and Limitations of Period Estimation Methods for Circadian Data

(2014) Tomasz Zielinski et al.   PLoS One

A circadian gene expression atlas in mammals: Implications for biology and medicine

(2014) Ray Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Novel BHLHE41 Variant is Associated with Short Sleep and Resistance to Sleep Deprivation in Humans

(2014) Renata Pellegrino et al.   SLEEP

Machine Learning Helps Identify CHRONO as a Circadian Clock Component

(2014) Ron C. Anafi et al.   PLOS BIOLOGY

Molecular assembly of the period-cryptochrome circadian transcriptional repressor complex

(2014) Shannon N Nangle et al.   eLife

Cry1 and Tef gene polymorphisms are associated with major depressive disorder in the Chinese population

(2013) Ping Hua et al.   JOURNAL OF AFFECTIVE DISORDERS

SCFFBXL3 ubiquitin ligase targets cryptochromes at their cofactor pocket

(2013) Weiman Xing et al.   NATURE

COPICAT: a software system for predicting interactions between proteins and chemical compounds

(2012) Y. Sakakibara et al.   BIOINFORMATICS

Simple Structure-Based Approach for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease

(2012) Anthony F. Nastase et al.   Journal of Chemical Information and Modeling

Identification of Small Molecule Activators of Cryptochrome

(2012) T. Hirota et al.   SCIENCE

Crystal Structure of the Heterodimeric CLOCK:BMAL1 Transcriptional Activator Complex

(2012) N. Huang et al.   SCIENCE

Optimization Based Tumor Classification from Microarray Gene Expression Data

(2011) Onur Dagliyan et al.   PLoS One

Identification of diverse modulators of central and peripheral circadian clocks by high-throughput chemical screening

(2011) Z. Chen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Identification of two Amino Acids in the C-terminal Domain of Mouse CRY2 Essential for PER2 Interaction

(2010) Natali Ozber et al.   BMC MOLECULAR BIOLOGY

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Differential Association of Circadian Genes with Mood Disorders: CRY1 and NPAS2 are Associated with Unipolar Major Depression and CLOCK and VIP with Bipolar Disorder

(2010) Virginia Soria et al.   NEUROPSYCHOPHARMACOLOGY

Circadian clocks: genes, sleep, and cognition

(2010) Charalambos P. Kyriacou et al.   TRENDS IN COGNITIVE SCIENCES

High-Throughput Chemical Screen Identifies a Novel Potent Modulator of Cellular Circadian Rhythms and Reveals CKIα as a Clock Regulatory Kinase

(2010) Tsuyoshi Hirota et al.   PLOS BIOLOGY

A Genome-wide RNAi Screen for Modifiers of the Circadian Clock in Human Cells

(2009) Eric E. Zhang et al.   CELL

Circadian clock genes and sleep homeostasis

(2009) P. Franken et al.   EUROPEAN JOURNAL OF NEUROSCIENCE

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY