Wishing you a very Happy Birthday | Dr. Gerald H. Lushington

 

 

Dr. Gerald H. Lushington serves as the Editor-in-Chief of the Journal: Combinatorial Chemistry & High Throughput Screening

LiS Consulting, Lawrence
KS
USA

Open Access Articles | A Network Integration Method for Deciphering the Types of Metabolic Pathway of Chemicals with Heterogeneous Information

Author(s): Zi-Han Guo, Lei Chen*, Xian Zhao.

Journal Name: Combinatorial Chemistry & High Throughput Screening

 

A metabolic pathway is an important type of biological pathway, which is composed of a series of chemical reactions. It provides essential molecules and energies for living organisms. To date, several metabolic pathways have been uncovered. However, their completeness is still on the way. A number of prediction methods have been built to assign chemicals into certain metabolic pathway, which can further be used to predict novel latent chemicals for a given metabolic pathway. However, they did not make use of chemical properties in a system level to construct prediction models. Read out full article here: http://www.eurekaselect.com/168115

 

RECENTLY PUBLISHED ISSUES – BENTHAM SCIENCE JOURNALS

Current Organic Chemistry 22, Issue 2
https://bit.ly/2Fipr8s

Combinatorial Chemistry & High Throughput Screening 21, Issue 1
https://bit.ly/2KgNjgw

Current Topics in Medicinal Chemistry 18, Issue 1
https://bit.ly/2Jv8SJl

Current Organic Synthesis 15, Issue 1
https://bit.ly/2vL1xmU

Current Computer-Aided Drug Design 14, Issue 1
https://bit.ly/2HR9ATJ

Letters in Drug Design & Discovery 15, Issue 5
https://bit.ly/2HyYPSZ

RECENTLY PUBLISHED ISSUES – BENTHAM SCIENCE JOURNALS

Current Protein & Peptide Science Volume 19, Issue 4
http://bit.ly/2oANZTZ

Combinatorial Chemistry & High Throughput Screening Volume 20, Issue 10
http://bit.ly/2CKt8CO

Current Pharmaceutical Biotechnology Volume 18, Issue 11
http://bit.ly/2F8GJZG

Endocrine, Metabolic & Immune Disorders – Drug Targets Volume 18, Issue 2
http://bit.ly/2HPH2Y6

Mini-Reviews in Medicinal Chemistry Volume 18, Issue 5
http://bit.ly/2BSPLIw

Current Drug Delivery Volume 15, Issue 2
http://bit.ly/2ozzaB9

New Issue :: Combinatorial Chemistry & High Throughput Screening Volume 20, Issue 9

Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research.

Articles from the journal Combinatorial Chemistry & High Throughput Screening Volume 20, Issue 9

• New Research for Quinazoline-2,4-diones as HPPD Inhibitors Based on 2D-MLR and 3D-QSAR Models
• Antioxidant, Antigenotoxic and Cytotoxic Activity of Anthocephalus cadamba (Roxb.) Miq. Bark Fractions and their Phytochemical Analysis using UPLC-ESI-QTOF-MS
• A Simple and Efficient Synthesis of 4-Arylacridinediones and 6-Aryldiindeno[1,2-b:2,1-e]pyridinediones using CuI Nanoparticles as Catalyst under Solvent-Free Conditions
• ZnO-nanoparticles as an Efficient Catalyst for the Synthesis of Functionalized Benzenes: Multicomponent Reactions of Sulfonoketenimides
• Green Synthesis of Palladium/Titanium Dioxide Nanoparticles and their Application for the Reduction of Methyl Orange, Congo Red and Rhodamine B in Aqueous Medium
• Physicochemical Characterization of Mitragyna speciosa Alkaloid Extract and Mitragynine using In Vitro High Throughput Assays
• High Throughput Screening Assay to Identify Modulators of IL-17 Expression
• Optimized Virtual Screening Workflow: Towards Target-Based Polynomial Scoring Functions for HIV-1 Protease

                              For details on the articles, please visit this link :: http://bit.ly/2F4Vppe

 

 

 

 

MOST ACCESSED ARTICLE – Therapeutic, Molecular and Computational Aspects of Novel Monoamine Oxidase (MAO) Inhibitors – Combinatorial Chemistry & High Throughput Screening

Journal: Combinatorial Chemistry & High Throughput Screening

Author(s): Muthusamy Ramesh , Yussif M. Dokurugu, Michael D. Thompson, Mahmoud E. Soliman

Abstract:

Background: Due to the limited number of MAO inhibitors in the clinics, several research efforts are aimed at the discovery of novel MAO inhibitors. At present, a high specificity and a reversible mode of inhibition of MAO-A/B are cited as desirable traits in drug discovery process. This will help to reduce the probability of causing target disruption and may increase the duration of action of drug.

Aim: Most of the existing MAO inhibitors lead to side effects due to the lack of affinity and selectivity. Therefore, there is an urgent need to design novel, potent, reversible and selective inhibitors for MAO-A/B. Selective inhibition of MAO-A results in the elevated level of serotonin and noradrenaline. Hence, MAO-A inhibitors can be used for improving the symptoms of depression. The selective MAO-B inhibitors are used with L-DOPA and/or dopamine agonists in the symptomatic treatment of Parkinson’s disease. The present study was aimed to describe the recently developed hits of MAO inhibitors.

Method: At present, CADD techniques are gaining an attention in rationale drug discovery of MAO inhibitors, and several research groups employed CADD approaches on various chemical scaffolds to identify novel MAO inhibitors. These computational techniques assisted in the development of lead molecules with improved pharmacodynamics / pharmacokinetic properties toward MAOs. Further, CADD techniques provided a better understanding of structural aspects of molecular targets and lead molecules.

Conclusions: The present review describes the importance of structural features of potential chemical scaffolds as well as the role of computational approaches like ligand docking, molecular dynamics, QSAR and pharmacophore modeling in the development of novel MAO inhibitors.

To access the article, please visit: http://www.eurekaselect.com/150823

 

WISHING A VERY HAPPY BIRTHDAY TO DR. GERALD H. LUSHINGTON!

DR. GERALD H. LUSHINGTON

EDITOR-IN-CHIEF: Combinatorial Chemistry & High Throughput Screening

LiS Consulting, Lawrence
KS
USA

NEW ISSUE :: Combinatorial Chemistry & High Throughput Screening 20, ISSUE 8

Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research. Original research articles and reviews in the following areas are of special interest to the readers of this journal:

• Target identification and validation
• Assay design, development, miniaturization and comparison
• High throughput/high content/in silico screening and associated technologies
• Label-free detection technologies and applications
• Stem cell technologies
• Biomarkers
• ADMET/PK/PD methodologies and screening
• Probe discovery and development, hit to lead optimization
• Combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries)
• Chemical library design and chemical diversity
• Chemo/bio-informatics, data mining
• Compound management
• Pharmacognosy
• Drug repurposing
• Data management and statistical analysis
• Laboratory automation, robotics, microfluidics, signal detection technologies
• Current & Future Institutional Research Profile
• Technology transfer, legal and licensing issues
• Patents

 In these respective subject areas, Combinatorial Chemistry & High Throughput Screening is intended to function as the most comprehensive and up-to-date medium available. The journal should be of value to individuals engaged in the process of drug discovery and development, in the settings of industry, academia or government.

Articles from the journal Combinatorial Chemistry & High Throughput Screening 20-8:

• Pharmacophore, 3D-QSAR Models and Dynamic Simulation of 1,4-Benzothiazines for Colorectal Cancer Treatment
• Caffeic Acid in Dermatological Formulations: In Vitro Release Profile and Skin Absorption
• Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations
• Polymer-supported (-)-8-phenylmenthyl Auxiliary as an Effective Solidphase Chiral Inductor in the Addition of Nucleophiles to N-acyliminium Ions
• Molecular Dynamics and Biological Evaluation of 2-chloro-7-cyclopentyl- 7H-pyrrolo[2,3-d]pyrimidine Derivatives Against Breast Cancer
• Synthesis and Anticancer Evaluation of Thiazacridine Derivatives Reveals New Selective Molecules to Hematopoietic Neoplastic Cells
• Virtual Screening on MMP-13 Led to Discovering New Inhibitors Including a Non-Zinc Binding and a Micro Molar One: A Successful Example of Receptor Selection According to Cross-Docking Results for a Flexible Enzyme
• Engineering of an Episomal Plasmid Suitable for High-Throughput Expression in Pichia pastoris
• Molecular Docking and Molecular Dynamics Simulation Based Approach to Explore the Dual Inhibitor Against HIV-1 Reverse Transcriptase and Integrase

For details on the articles, please visit this link: http://bit.ly/2CjsNbz

RECENTLY PUBLISHED ISSUES – BENTHAM SCIENCE JOURNALS

Combinatorial Chemistry & High Throughput Screening 20-6

http://bit.ly/2Axrqrc

Technology Transfer and Entrepreneurship 4-2

http://bit.ly/2ngNRvs

Current Organic Chemistry 21-20

http://bit.ly/2iwN3kv

Current Cardiology Reviews 13-4

http://bit.ly/2j7t2hB

Protein & Peptide Letters 24-8

http://bit.ly/2AhTCxT

Current Medicinal Chemistry 24-30

http://bit.ly/2jzWzju

Current Medicinal Chemistry 24-31

http://bit.ly/2i5DLbg

Current Drug Discovery Technologies 14-4

http://bit.ly/2iICJC3

Current Medicinal Chemistry 24-32

http://bit.ly/2yJM1si

Current Alzheimer Research 14-12

http://bit.ly/2nlkYhA

Current Pharmaceutical Design 23-27

http://bit.ly/2AwrVlq

Testimonial by Begüm Evranos Aksöz!

Contributed Article: Design, Synthesis and hMAO Inhibitory Screening of Novel 2-Pyrazoline Analogues