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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 41 - 50 of 164
Scientific News
Antibiotic Resistance Threatens Future of Modern Medicine
Overuse and misuse of antibiotics, one of the key contributors to antimicrobial resistance (AMR).
Computer Model Sets New Precedent in Drug Discovery
New computational model can precisely simulate, predict therapeutic protein behaviors to help zero in on ideal drug design candidates.
New Drug for Common Liver Disease Improves Liver Health
An experimental drug aimed at treating a common liver disease showed promising results and potential problems in a multicenter clinical trial funded by the NIH.
'Rewriting' the Way to Make Natural Drug Compounds
Using an organism's own pathway to synthesize potential therapeutics.
MS Drug Candidate Shows Promise for Ulcerative Colitis
Positive new clinical data were released today on a drug candidate for ulcerative colitis that was first discovered and synthesized at The Scripps Research Institute.
New Technique has Profound Implications for Drug Development
The method, developed by Scripps Research Institute chemists, expands options for making pure batches of ‘one-handed’ molecules.
Team Discovers How Microbes Build a Powerful Antibiotic
Researchers discovery opens up new avenues of research into thousands of similar molecules.
Misfolded Proteins Clump Together in a Surprising Place
Stowers researchers create new framework for protein aggregation under acute stress.
Nanoparticle Research Could Enhance Drug Delivery Through Skin
A milestone study from the University of Southampton could have major implications for the delivery of drugs.
Chemists Recruit Anthrax to Deliver Cancer Drugs
With some tinkering, a deadly protein becomes an efficient carrier for antibody drugs.
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