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Stable N-phosphorylated triazol-5-ylidenes
Kirilchuk,A. A.; Marchenko,A. P.; Koidan, H. G.; Zarudnitskii, E. V.; Huryeva, A. N.; Yurchenko, A. A.; Kostyuk, A. N.

Considering probable generality of “carbene” mechanism for 1,3-azoles, investigation of intermediates of phosphorylation of 1,2,4-triazoles is of interest.

Reaxys Xcelerate – Less Searching. More Discovery
Keshav Dutt Sharma

Reaxys Xcelerate is a new premium version of Reaxys. Reaxys is a web based workflow tool for synthetic chemists. It is designed to support the optimization of synthetic processes and offers a valuable resource for accurate & validated experimental reaction & substance data.

Improved Ligation Specificity with Chemically Modified Ligation Components
Sabrina Shore, Alexandre Lebedev, Elena Hidalgo Ashrafi, Gerald Zon, Natasha Paul, Richard Hogrefe

Ligases are gaining utility in molecular biology applications, such as nucleotide sequence detection, single nucleotide polymorphism (SNP) detection, protein detection and “next generation” sequencing by ligation.

Novel Antimalarial Drug Candidates Generated In Silico by Analysis of Public HTS Data
Robert Fraczkiewicz, Michael S. Lawless, Robert D. Clark, and Walter S. Woltosz

This research aims to provide proof-in-principle that in silico tools could be applied to public data so as to efficiently identify active chemistry with good ADMET properties.

Finally, a User-Friendly Way of Computing and Presenting Individual Group Contributions to Polyprotic Ionization of Drugs
Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark

It is tempting to “assign” the macroscopic ionization constants (apparent pKa‘s obtained from titration experiments) of molecules to specific ionizable groups; however, this is strictly appropriate only in the case of monoprotic molecules.

Analyzing Molecular Polar Surface Descriptors to Predict Blood-Brain Barrier Permeation
Sergey Shityakova, Winfried Neuhausa, Thomas Dandekarc and Carola Förstera

Permeation of active drugs across the vascular brain endothelium into the central nervous system (CNS) is controlled by the blood-brain barrier (BBB). Some molecular quantities like polar surface (PS) descriptors are of key interest to medicinal chemists to predict the BBB permeation fate for different drug-like chemical compounds.

Classification of Drugs by CNS Access: An Insight from Quantitative Blood-Brain Transport Characteristics
Kiril Lanevskij, Pranas Japertas and Remigijus Didziapetris, Advanced Chemistry Development Inc.

Aim of this study was to identify relationships between quantitative blood-brain transport parameters and qualitative data indicating whether the compound penetrates into the brain efficiently enough to exhibit action in the CNS.

An In Silico Test Battery for Rapid Evaluation of Genotoxic and Carcinogenic Potential of Chemicals
Kiril Lanevskij, Liutauras Juska, Justas Dapkunas, Andrius Sazonovas, Pranas Japertas and Remigijus Didziapetris, of ACD/Labs and Vilnius University

The FDA guidance for industry states impurities under the ICH threshold may be exaluated for genotoxicity and carcinogenicity. This study uses an expert system to detect mutagens and compounds labeled as potent carcinogens by the FDA.

UPLC-MS/MS for the Screening, Confirmation and Quantification of 32 Drugs Illegally Added to Herbal/Dietary Supplements for the Enhancement of Male Sexual Performance
Salman Azimi, Nayan Mistry and Michelle Wood

This poster outlines development of a novel screening method that is suitable for both the detection of known and unknown ED drugs and analogues. Comprehensive spectral data is collected and automatically compared to a prepared library if known drugs.

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Showing Results 81 - 90 of 204
Scientific News
A New Platform for Discovering Antibiotics
Harvard chemists hope to shorten time, difficulty in measuring their effectiveness, potential.
Non-Toxic Approach to Treating Variety of Cancers
A team of researchers at Sylvester Comprehensive Cancer Center at the University of Miami Miller School of Medicine recently discovered a novel, non-toxic approach to treating a wide variety of cancers.
Making Injectable Medicine Safer
Researchers remove excess additives from drugs, which could reduce the odds of serious allergic reactions and other side effects.
Turning Skin Cells into Heart, Brain Cells
In a major breakthrough, scientists at the Gladstone Institutes transformed skin cells into heart cells and brain cells using a combination of chemicals.
Experimental Drug Cancels Effect from Key Intellectual Disability Gene
A University of Wisconsin—Madison researcher who studies the most common genetic intellectual disability has used an experimental drug to reverse — in mice — damage from the mutation that causes the syndrome.
Doubling Down on Dengue
HMS researchers have discovered two ways a compound blocks dengue virus.
Reprogramming Scorpion Venom
‘Twist of nature’ neutralizes toxin.
Tailoring a Suit for Tumor-Penetrating Cancer Meds
For more than a decade, biomedical researchers have been looking for better ways to deliver cancer-killing medication directly to tumors in the body.
Resurrecting an Abandoned Drug
Previously discarded drug shows promise in helping human cells in a lab dish fight off two different viruses.
Safer, Cheaper, Greener and More Efficient System for Organic Synthesis
The new medium not only supports organic synthesis it also produces considerably higher yields of product than pure organic solvents.
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