Advances in Applying Computer-Aided Drug Design for Neurodegenerative Diseases

The effects of trifluoperazine on brain edema, aquaporin-4 expression and metabolic markers during the acute phase of stroke using photothrombotic mouse model

(2021) Nicole J. Sylvain et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Data science in neurodegenerative disease

(2020) Sepehr Golriz Khatami et al.   CURRENT OPINION IN NEUROLOGY

Neuroprotective effects of novel nitrones: In vitro and in silico studies

(2020) Saira Cancela et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Repurposing Potential of Riluzole as an ITAF Inhibitor in mTOR Therapy Resistant Glioblastoma

(2020) Angelica Benavides-Serrato et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer’s Therapeutics

(2020) Varnavas D. Mouchlis et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Potent Acetylcholinesterase Inhibitors: Potential Drugs for Alzheimer’s Disease

(2020) Hulya Akıncıoğlu et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Revealing the Mechanism of EGCG, Genistein, Rutin, Quercetin, and Silibinin Against hIAPP Aggregation via Computational Simulations

(2020) Yu Wang et al.   Interdisciplinary Sciences-Computational Life Sciences

Salivary Redox Biomarkers in Selected Neurodegenerative Diseases

(2020) Mateusz Maciejczyk et al.   Journal of Clinical Medicine

Targeting Aquaporin-4 Subcellular Localization to Treat Central Nervous System Edema

(2020) Philip Kitchen et al.   CELL

In silico exploration of bioactive phytochemicals against neurodegenerative diseases via inhibition of cholinesterases

(2020) Fawzi Mahomoodally et al.   CURRENT PHARMACEUTICAL DESIGN

Efficacy coefficient method assisted quadruple-activities 3D-QSAR pharmacophore model for application in environmentally friendly PAE molecular modification

(2020) Meijin Du et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

How have advances in genetic technology modified movement disorder nosology?

(2020) A. Sturchio et al.   EUROPEAN JOURNAL OF NEUROLOGY

Multiparametric imaging hippocampal neurodegeneration and functional connectivity with simultaneous PET/MRI in Alzheimer’s disease

(2020) Shaozhen Yan et al.   EUROPEAN JOURNAL OF NUCLEAR MEDICINE AND MOLECULAR IMAGING

An overview of drug discovery and development

(2020) Nurken Berdigaliyev et al.   Future Medicinal Chemistry

Materials for blood brain barrier modeling in vitro

(2020) Magali P. Ferro et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Peripheral neuropathy in Parkinson’s disease

(2020) Dion A. Paul et al.   NEUROLOGICAL SCIENCES

Changing faces of stress: Impact of heat and arsenite treatment on the composition of stress granules

(2020) Klára Frydrýšková et al.   Wiley Interdisciplinary Reviews-RNA

Novel Insights into PARK7 (DJ-1), a Potential Anti-Cancer Therapeutic Target, and Implications for Cancer Progression

(2020) Wook Jin   Journal of Clinical Medicine

A review of possible therapies for Parkinson’s disease

(2020) Ashok Chakraborty et al.   JOURNAL OF CLINICAL NEUROSCIENCE

Dementia prevention, intervention, and care: 2020 report of the Lancet Commission

(2020) Gill Livingston et al.   LANCET

ROS Generation in Microglia: Understanding Oxidative Stress and Inflammation in Neurodegenerative Disease

(2020) Dominic S. A. Simpson et al.   Antioxidants

Glymphatic failure as a final common pathway to dementia

(2020) Maiken Nedergaard et al.   SCIENCE

Design and Validation of a Human Brain Endothelial Microvessel-on-a-Chip Open Microfluidic Model Enabling Advanced Optical Imaging

(2020) Mootaz M. Salman et al.   Frontiers in Bioengineering and Biotechnology

The integration of pharmacophore-based 3D QSAR modeling and virtual screening in safety profiling: A case study to identify antagonistic activities against adenosine receptor, A2A, using 1,897 known drugs

(2019) Fan Fan et al.   PLoS One

New Binding Sites, New Opportunities for GPCR Drug Discovery

(2019) H.C. Stephen Chan et al.   TRENDS IN BIOCHEMICAL SCIENCES

Rapid determination of quaternary protein structures in complex biological samples

(2019) Simon Hauri et al.   Nature Communications

Gene expression meta-analysis of Parkinson’s disease and its relationship with Alzheimer’s disease

(2019) Jack Kelly et al.   Molecular Brain

Derivatives of Piperazines as Potential Therapeutic Agents for Alzheimer’s Disease

(2019) Elena Popugaeva et al.   MOLECULAR PHARMACOLOGY

Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments

(2019) Renata Rachide Nunes et al.   MEMORIAS DO INSTITUTO OSWALDO CRUZ

Virtual screening, pharmacokinetics, molecular dynamics and binding free energy analysis for small natural molecules against cyclin-dependent kinase 5 for Alzheimer’s disease

(2019) Rohit Shukla et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Inhibitors of Mammalian Aquaporin Water Channels

(2019) Mohammed Abir-Awan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Identification of DNA–protein binding sites by bootstrap multiple convolutional neural networks on sequence information

(2019) Yongqing Zhang et al.   ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE

Targeting damages in the brain: Exosomes derived from MSC present migration and homing abilities to different neurodegenerative and neuropsychiatric locations

(2019) D. Offen et al.   CYTOTHERAPY

Next Generation Precision Medicine: CRISPR-mediated Genome Editing for the Treatment of Neurodegenerative Disorders

(2019) Sudhanshu P. Raikwar et al.   Journal of Neuroimmune Pharmacology

Tea polyphenols as multi-target therapeutics for Alzheimer’s disease: An in silico study

(2019) Muhammed Khairujjaman Mazumder et al.   MEDICAL HYPOTHESES

Parkinson's disease age at onset genome‐wide association study: Defining heritability, genetic loci, and α‐synuclein mechanisms

(2019) Cornelis Blauwendraat et al.   MOVEMENT DISORDERS

Targeting Huntingtin Expression in Patients with Huntington’s Disease

(2019) Sarah J. Tabrizi et al.   NEW ENGLAND JOURNAL OF MEDICINE

Management of fracture risk in Parkinson's: A revised algorithm and focused review of treatments

(2019) Emily J. Henderson et al.   PARKINSONISM & RELATED DISORDERS

Genome Wide Association Study and Next Generation Sequencing: A Glimmer of Light Toward New Possible Horizons in Frontotemporal Dementia Research

(2019) Miriam Ciani et al.   Frontiers in Neuroscience

Identification of High-affinity Small Molecules Targeting Gamma Secretase for the Treatment of Alzheimer’s Disease

(2019) Meer Asif Ali et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Loss of Non-Apoptotic Role of Caspase-3 in the PINK1 Mouse Model of Parkinson’s Disease

(2019) Paola Imbriani et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Identifying potential GluN2B subunit containing N-Methyl-D-aspartate receptor inhibitors: an integrative in silico and molecular modeling approach

(2019) Ravi Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The energetic brain ‐ A review from students to students

(2019) M.P. Bordone et al.   JOURNAL OF NEUROCHEMISTRY

Prediction of fraction unbound in microsomal and hepatocyte incubations – a comparison of methods across industry datasets

(2019) Susanne Winiwarter et al.   MOLECULAR PHARMACEUTICS

Determining protein structures using deep mutagenesis

(2019) Jörn M. Schmiedel et al.   NATURE GENETICS

An integrated transcriptomics and proteomics analysis reveals functional endocytic dysregulation caused by mutations in LRRK2

(2019) Natalie Connor-Robson et al.   NEUROBIOLOGY OF DISEASE

Virtual screening identification of novel chemical inhibitors for aberrant interactions between pathogenic mutant SOD1 and tubulin

(2019) Kazunori Hirayama et al.   NEUROCHEMISTRY INTERNATIONAL

Huntington disease

(2019) W.R. Wayne Martin et al.   NEUROLOGY

Functional MRI of the mouse olfactory system

(2019) Eric R. Muir et al.   NEUROSCIENCE LETTERS

The dynamic switch mechanism that leads to activation of LRRK2 is embedded in the DFGψ motif in the kinase domain

(2019) Sven H. Schmidt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CRISPR/Cas: An intriguing genomic editing tool with prospects in treating neurodegenerative diseases

(2019) Safikur Rahman et al.   SEMINARS IN CELL & DEVELOPMENTAL BIOLOGY

Isoform-specific Inhibition of N-methyl-D-aspartate Receptors by Bile Salts

(2019) Angela Koch et al.   Scientific Reports

CSF1R inhibitor JNJ-40346527 attenuates microglial proliferation and neurodegeneration in P301S mice

(2019) Renzo Mancuso et al.   BRAIN

Ultrasmall Core-Shell Silica Nanoparticles for Precision Drug Delivery in a High-Grade Malignant Brain Tumor Model

(2019) Rupa Juthani et al.   CLINICAL CANCER RESEARCH

Effect of Salvia miltiorrhiza on acetylcholinesterase: Enzyme kinetics and interaction mechanism merging with molecular docking analysis

(2019) Hongjin Tang et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Circuit-Specific Early Impairment of Proprioceptive Sensory Neurons in the SOD1G93A Mouse Model for ALS

(2019) Soju Seki et al.   JOURNAL OF NEUROSCIENCE

Ageing as a risk factor for neurodegenerative disease

(2019) Yujun Hou et al.   Nature Reviews Neurology

Movement disorders: a themed collection

(2019) Victoria J Haunton   AGE AND AGEING

Rational design of linear tripeptides against the aggregation of human mutant SOD1 protein causing amyotrophic lateral sclerosis

(2019) E. Srinivasan et al.   JOURNAL OF THE NEUROLOGICAL SCIENCES

The Uncovering Neurodegenerative Insights Through Ethnic Diversity consortium

(2019) Hieab H H Adams et al.   LANCET NEUROLOGY

Modified age-dependent expression of NaV1.6 in an ALS model correlates with motor cortex excitability alterations

(2019) Luana Saba et al.   NEUROBIOLOGY OF DISEASE

Dual Inhibition of DPP-4 and Cholinesterase Enzymes by the Phytoconstituents of the Ethanolic Extract of Prosopis cineraria Pods: Therapeutic Implications for the Treatment of Diabetes-associated Neurological Impairments

(2019) Heera Ram et al.   Current Alzheimer Research

Application of quantitative structure-activity relationship (QSAR) model in comprehensive human health risk assessment of PAHs, and alkyl-, nitro-, carbonyl-, and hydroxyl-PAHs laden in urban road dust

(2019) Gustav Gbeddy et al.   JOURNAL OF HAZARDOUS MATERIALS

Identification of novel risk loci, causal insights, and heritable risk for Parkinson's disease: a meta-analysis of genome-wide association studies

(2019) Mike A Nalls et al.   LANCET NEUROLOGY

A meta-analytic review of prospection deficits in Parkinson’s disease

(2019) Sarah P. Coundouris et al.   NEUROSCIENCE AND BIOBEHAVIORAL REVIEWS

Theoretical and Experimental Approaches Aimed at Drug Design Targeting Neurodegenerative Diseases

(2019) Samuel Morales-Navarro et al.   Processes

Genetics of Alzheimer’s disease: where we are, and where we are going

(2019) Céline Bellenguez et al.   CURRENT OPINION IN NEUROBIOLOGY

Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based on in silico Drug Design

(2018) Sheikh Arslan Sehgal et al.   Current Neuropharmacology

In Silico Studies in Drug Research Against Neurodegenerative Diseases

(2018) Farahnaz Rezaei Makhouri et al.   Current Neuropharmacology

Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders

(2018) Mohammad Hassan Baig et al.   Current Neuropharmacology

Neuroprotective effects of silibinin: an in silico and in vitro study

(2018) Valencia Fernandes et al.   INTERNATIONAL JOURNAL OF NEUROSCIENCE

Exploring the functional impact of mutational drift in LRRK2 gene and identification of specific inhibitors for the treatment of Parkinson disease

(2018) Nagasundaram Nagarajan et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Functional MRI of brain physiology in aging and neurodegenerative diseases

(2018) J. Jean Chen   NEUROIMAGE

Flavonoids as Therapeutic Agents in Alzheimer’s and Parkinson’s Diseases: A Systematic Review of Preclinical Evidences

(2018) Roxana Braga de Andrade Teles et al.   Oxidative Medicine and Cellular Longevity

Computer-Aided Drug Design in Epigenetics

(2018) Wenchao Lu et al.   Frontiers in Chemistry

Comparative binding of kaempferol and kaempferide on inhibiting the aggregate formation of mutant (G85R) SOD1 protein in familial amyotrophic lateral sclerosis: A quantum chemical and molecular mechanics study

(2018) E. Srinivasan et al.   BIOFACTORS

Predicting Human Pharmacokinetics: Physiologically Based Pharmacokinetic Modeling and In Silico ADME Prediction in Early Drug Discovery

(2018) Jian Shi et al.   EUROPEAN JOURNAL OF DRUG METABOLISM AND PHARMACOKINETICS

Mechanism of NMDA receptor channel block by MK-801 and memantine

(2018) Xianqiang Song et al.   NATURE

Organ-on-chip models: Implications in drug discovery and clinical applications

(2018) Rahul Mittal et al.   JOURNAL OF CELLULAR PHYSIOLOGY

Quantum chemical and molecular mechanics studies on the assessment of interactions between resveratrol and mutant SOD1 (G93A) protein

(2018) E. Srinivasan et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Designing Hybrids Targeting the Cholinergic System by Modulating the Muscarinic and Nicotinic Receptors: A Concept to Treat Alzheimer’s Disease

(2018) Daniela Volpato et al.   MOLECULES

Affinity-based capture and identification of protein effectors of the growth regulator ppGpp

(2018) Boyuan Wang et al.   Nature Chemical Biology

In Silico Prediction of P-glycoprotein Binding: Insights from Molecular Docking Studies

(2018) Santiago Vilar et al.   CURRENT MEDICINAL CHEMISTRY

Virtual screening in drug-likeness and structure/activity relationship of pyridazine derivatives as Anti-Alzheimer drugs

(2018) Anfel Zerroug et al.   JOURNAL OF KING SAUD UNIVERSITY SCIENCE

Design, synthesis, in-silico and biological evaluation of novel donepezil derivatives as multi-target-directed ligands for the treatment of Alzheimer's disease

(2017) Chandra Bhushan Mishra et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Hypothermia increases aquaporin 4 (AQP4) plasma membrane abundance in human primary cortical astrocytes via a calcium/transient receptor potential vanilloid 4 (TRPV4)- and calmodulin-mediated mechanism

(2017) Mootaz M. Salman et al.   EUROPEAN JOURNAL OF NEUROSCIENCE

Transcriptome analysis suggests a role for the differential expression of cerebral aquaporins and the MAPK signalling pathway in human temporal lobe epilepsy

(2017) Mootaz M. Salman et al.   EUROPEAN JOURNAL OF NEUROSCIENCE

Achieving neuroprotection with LRRK2 kinase inhibitors in Parkinson disease

(2017) Andrew B. West   EXPERIMENTAL NEUROLOGY

In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease

(2017) Maleeha Waqar et al.   JOURNAL OF VENOMOUS ANIMALS AND TOXINS INCLUDING TROPICAL DISEASES

In silico analysis of the inhibitory activities of GABA derivatives on 4-aminobutyrate transaminase

(2017) Hira Iftikhar et al.   Arabian Journal of Chemistry

Rutin protects against neuronal damage in vitro and ameliorates doxorubicin-induced memory deficits in vivo in Wistar rats

(2017) Grandhi V Ramalingayya et al.   Drug Design Development and Therapy

Tyrosyl-DNA phosphodiesterase inhibitors: Progress and potential

(2016) Sergey S. Laev et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Morin reverses neuropathological and cognitive impairments in APPswe/PS1dE9 mice by targeting multiple pathogenic mechanisms

(2016) Ying Du et al.   NEUROPHARMACOLOGY

Computational investigation of curcumin, a natural polyphenol that inhibits the destabilization and the aggregation of human SOD1 mutant (Ala4Val)

(2016) E. Srinivasan et al.   RSC Advances

Incidence of adult Huntington's disease in the UK: a UK-based primary care study and a systematic review

(2016) Nancy S Wexler et al.   BMJ Open

Role of computer-aided drug design in modern drug discovery

(2015) Stephani Joy Y. Macalino et al.   ARCHIVES OF PHARMACAL RESEARCH

Toxicology Strategies for Drug Discovery: Present and Future

(2015) Eric A. G. Blomme et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Identification and Molecular Mechanisms of the Rapid Tonicity-induced Relocalization of the Aquaporin 4 Channel

(2015) Philip Kitchen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Design of dual inhibitors of ROCK-I and NOX2 as potential leads for the treatment of neuroinflammation associated with various neurological diseases including autism spectrum disorder

(2015) Reshma Alokam et al.   Molecular BioSystems

Molecular Docking and Structure-Based Drug Design Strategies

(2015) Leonardo Ferreira et al.   MOLECULES

MTHFR-Ala222Val and male infertility: a study in Iranian men, an updated meta-analysis and an in silico-analysis

(2015) Hossein Nikzad et al.   REPRODUCTIVE BIOMEDICINE ONLINE

New aryloxy-quinone derivatives as potential anti-Chagasic agents: synthesis, trypanosomicidal activity, electrochemical properties, pharmacophore elucidation and 3D-QSAR analysis

(2015) Karina Vázquez et al.   RSC Advances

Finding Inhibitors of Mutant Superoxide Dismutase-1 for Amyotrophic Lateral Sclerosis Therapy from Traditional Chinese Medicine

(2014) Hung-Jin Huang et al.   Evidence-based Complementary and Alternative Medicine

Protein Kinase CK-1 Inhibitors As New Potential Drugs for Amyotrophic Lateral Sclerosis

(2014) Irene G. Salado et al.   JOURNAL OF MEDICINAL CHEMISTRY

Decarboxylative Arylation of α-Amino Acids via Photoredox Catalysis: A One-Step Conversion of Biomass to Drug Pharmacophore

(2014) Zhiwei Zuo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational and Functional Characterization of Angiogenin Mutations, and Correlation with Amyotrophic Lateral Sclerosis

(2014) Aditya K. Padhi et al.   PLoS One

Regulation of caspase-3 processing by cIAP2 controls the switch between pro-inflammatory activation and cell death in microglia

(2014) E Kavanagh et al.   Cell Death & Disease

In silico, in vitro and cellular analysis with a kinome-wide inhibitor panel correlates cellular LRRK2 dephosphorylation to inhibitor activity on LRRK2

(2014) Renée Vancraenenbroeck et al.   Frontiers in Molecular Neuroscience

Molecular dynamics simulations of amyloid fibrils: an in silico approach

(2013) W. Ye et al.   ACTA BIOCHIMICA ET BIOPHYSICA SINICA

Structure-based drug design of catechol-O-methyltransferase inhibitors for CNS disorders

(2013) Zhiguo Ma et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

Kinase CK2 Inhibition: An Update

(2013) G. Cozza et al.   CURRENT MEDICINAL CHEMISTRY

Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: New dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease

(2013) Abdelouahid Samadi et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

(2S)-5, 2′, 5′-Trihydroxy-7-Methoxyflavanone, a Natural Product from Abacopteris penangiana, Presents Neuroprotective Effects In Vitro and In Vivo

(2013) Han Wei et al.   NEUROCHEMICAL RESEARCH

Alzheimer disease in the United States (2010-2050) estimated using the 2010 census

(2013) L. E. Hebert et al.   NEUROLOGY

Design of potent inhibitors of acetylcholinesterase using morin as the starting compound

(2013) C. Remya et al.   Frontiers in Life Science

Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer’s disease

(2012) Kuldeep K. Roy et al.   BIOORGANIC & MEDICINAL CHEMISTRY

1-Benzyl-1,2,3,4-Tetrahydro-β-Carboline as Channel Blocker of N-Methyl-d-Aspartate Receptors

(2012) Marlene Espinoza-Moraga et al.   Chemical Biology & Drug Design

Phenotypic Screening Strategies for Neurodegenerative Diseases: A Pathway to Discover Novel Drug Candidates and Potential Disease Targets or Mechanisms

(2012) R. M. Pruss   CNS & Neurological Disorders-Drug Targets

Computer-Aided Drug Design: Lead Discovery and Optimization

(2012) Mingli Xiang et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: Synthesis, biological assessment, and molecular modeling

(2012) Abdelouahid Samadi et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Homozygosity for aquaporin 7 G264V in three unrelated children with hyperglyceroluria and a mild platelet secretion defect

(2012) Christophe Goubau et al.   GENETICS IN MEDICINE

Potential and Limitations of Ensemble Docking

(2012) Oliver Korb et al.   Journal of Chemical Information and Modeling

Correlation of Alzheimer Disease Neuropathologic Changes With Cognitive Status: A Review of the Literature

(2012) Peter T. Nelson et al.   JOURNAL OF NEUROPATHOLOGY AND EXPERIMENTAL NEUROLOGY

In silico docking reveals possible Riluzole binding sites on Nav1.6 sodium channel: Implications for amyotrophic lateral sclerosis therapy

(2012) Omar Sierra Bello et al.   JOURNAL OF THEORETICAL BIOLOGY

Caspase-3 in the central nervous system: beyond apoptosis

(2012) Marcello D’Amelio et al.   TRENDS IN NEUROSCIENCES

Caspase-3 activation as a bifurcation point between plasticity and cell death

(2012) Shikha Snigdha et al.   Neuroscience Bulletin

A New Drug Design Targeting the Adenosinergic System for Huntington's Disease

(2011) Nai-Kuei Huang et al.   PLoS One

Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic

(2010) Tanaji Talele et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Review of the Use of the Glutamate Antagonist Riluzole in Psychiatric Disorders and a Description of Recent Use in Childhood Obsessive-Compulsive Disorder

(2010) Paul Grant et al.   JOURNAL OF CHILD AND ADOLESCENT PSYCHOPHARMACOLOGY

Virtual screening: an endless staircase?

(2010) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

X-ray structure of the ternary MTX·NADPH complex of the anthrax dihydrofolate reductase: A pharmacophore for dual-site inhibitor design

(2009) Brad C. Bennett et al.   JOURNAL OF STRUCTURAL BIOLOGY

Targeting protein kinases in central nervous system disorders

(2009) Laura K. Chico et al.   NATURE REVIEWS DRUG DISCOVERY

Amyotrophic lateral sclerosis

(2009) Lokesh C Wijesekera et al.   Orphanet Journal of Rare Diseases

Heterodimerization of dopamine receptors: new insights into functional and therapeutic significance

(2009) Roberto Maggio et al.   PARKINSONISM & RELATED DISORDERS

Molecular imaging in clinical trials

(2009) Debra Josephs et al.   Targeted Oncology

Identification of novel protein kinase CK1 delta (CK1δ) inhibitors through structure-based virtual screening

(2008) Giorgio Cozza et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Exposure to cerebrospinal fluid of sporadic Amyotrophic Lateral Sclerosis patients alters Nav1.6 and Kv1.6 channel expression in rat spinal motor neurons

(2008) R. Gunasekaran et al.   BRAIN RESEARCH

Enzymatic Activity and Substrate Specificity of Mitogen-activated Protein Kinase p38α in Different Phosphorylation States

(2008) Yuan-Yuan Zhang et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CSS-Palm 2.0: an updated software for palmitoylation sites prediction

(2008) J. Ren et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach

(2006) I.M. Kapetanovic   CHEMICO-BIOLOGICAL INTERACTIONS