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Products & Services Home Small Molecules: Hit identification Small Molecules: Hit-to-Lead optimization Small Molecules: physicochemical properties Small Molecules: ADME Small Molecules: Toxicity Small Molecules: Selectivity Antibodies: Humanization and Optimization Protein Modeling. Discovery Protein Modeling: HERG binding Protein Modeling: Albumin binding Quantum Discussions Forum You access the old version of our website. Please point your browser to our new home page. NEWS & EVENTS October 17, 2006 A breakthrough in-silico compound profiling platform is now available Quantum Pharmaceuticals recently delivered a new, unique solution to the market- compound selectivity profiling services responding to great demand from the market for innovative protein panels and compound selectivity assays. The Quantum lead selectivity test explores the selectivity of compounds, potential adverse effects and additional unexpected activities by screening them in-silico against thousands of proteins!!! The Quantum Lead Selectivity Test is aimed at the accurate determination of the IC50 (inhibition constant) of a compound against every protein from the panel. The proteins are selected to represent maximum binding site diversity and the broadest coverage of biological functions. The compound structures are confidentially provided by customer in a popular file or database format. The customer selects proteins from the list offered by Quantum or submits protein structures. Quantum suggests a default profile, which contains more then two thousands pre-selected proteins. The protein panel can can easily be expanded or adjusted on demand, e.g. for screening against all proteins of a certain type such as kinase profiling panel etc. The results contain IC50 values of the compounds for selected proteins. For every compound with calculated affinity less than u-mol the following additional information will be provided: the type of protein active site, a list of similar proteins, tissues, which can be affected, as well as information about related diseases. The coordinates of the ligand in the protein binding site and the details of intermolecular interactions in the protein-ligand complex are also available. WHY QUANTUM? Quantum is - the world’s most comprehensive profiling panel - the fastest and most accurate computational platform - a truly cost effective solution. The calculations are performed with the help of Quantum Pharmaceuticals' molecular modeling computational platform. The calculations are firmly rooted in the first principles of molecular physics and thermodynamics. The validation research shows accuracy on the level of 15% relative error in the free energy, which is the same level of accuracy as in-vitro assays. The calculations are available for every protein with resolved 3D structure. Quantum uses a maximum diverse protein assay panel designed to ensure medical relevance and predictive value. The panel includes a variety of receptors and enzyme classes. It helps to evaluate the selectivity and potency of compounds against specific assay targets and predict their potential for contributing to adverse events. The analysis may be suggestive of alternative therapeutic applications. With the demand to fail fast, fail cheap, using the Quantum profiling technology will guide strategic decisions regarding the drug development pathway. The Quantum Lead Selectivity test became a basis for collaboration with several pharmaceuticals majors. Find more details about Quantum Lead Selectivity Test at Compound Profiling. October 24, 2005 New Generation of Drug Discovery Software Enters Market Quantum Pharmaceuticals is issuing its first commercial release of research software that is expected to speed up pharmaceuticals R&D radically and irrevocably change the drug discovery software market. Quantum 3.1 is a suite of drug discovery software for Linux and Windows designed to enhance the stages of drug discovery workflows, such as target identification, drug hit identification, lead identification and lead optimization. The Quantum software was developed using a new paradigm in molecular modeling – applying quantum and molecular physics instead of statistical scoring-function-like and QSAR-like methods. The key benefit of Quantum is the outstanding precision of molecular modeling and calculations. Using Quantum 3.1, researchers can calculate the IC50 of protein-ligand and protein-protein complexes, perform ligand docking, perform virtual screening of small-molecule libraries, analyze large-scale protein movements, perform de novo drug design and calculate the solvation energy and solubility. Quantum 3.1 also helps detect potential moderate-to-serious adverse activity, additional unexpected activity and broad relative selectivity for a library of compounds by screening them against several hundred ADME/TOX-associated proteins. The Mutagenesis module of Quantum 3.1 provides an interface for changing the protein sequence at specific sites through alterations to its amino acids and predicts changes in the bioactivity after mutations. The Quantum software was successfully applied in different in-house and collaborative drug discovery projects of Quantum Pharmaceuticals. As a result of applying Quantum software, a range of the novel chemical inhibitor classes were discovered for disease targets, including HIV-I integrase (AIDS), Beta-Secretase (Alzheimer’s disease), Human Neutrophil Elastase (CF, COPD), FtsZ (TB) and some others. Quantum technology has proved itself to be very effective in creating revolutionary new medicine, and it has demonstrated its ability to discover new classes of inhibitors. The free demo version of Quantum 3.1 can be downloaded from here (Free docking software Demo) About Quantum Pharmaceuticals Quantum Pharmaceuticals, the leader in drug discovery technology, serves the life sciences industry and research community by providing top-of-the-line drug discovery products and services. Since 2002 Quantum Pharmaceuticals has been developing its superior proprietary computer-based molecular modeling technology. The Quantum technology includes the latest achievements in the fields of physics, mathematics and chemistry. It demonstrates outstanding speed and accuracy of affinity calculations using fast quantum calculations, which take into account the full flexibility of molecules, solvation effects and entropy contribution. This provides unprecedented possibilities for drug discovery. The headquarters of Quantum Pharmaceuticals is in Moscow, and its worldwide distribution network is expanding. February 4, 2005 Don’t miss Quantum Pharmaceuticals’ exhibit at the Pharma Solutions Expo 2005 in March, 2005. Quantum Pharmaceuticals will be exhibiting its latest achievements in computational drug discovery technology at the Pharma Solutions Expo March 15th and 16th in London, England. Quantum’s highly accurate in silico protein-small molecule docking and protein-protein docking including protein flexibility will be demonstrated. Other developments such as screening with the accuracy of chemical experiments will also be showcased at this event. Pharma Solutions Expo is the largest forum for drug development, IT and strategic solutions and this year will be the largest show in its history. Over 1000 company representatives from around the world will attend and more than 100 companies will exhibit. The conference is expected to create a forum where the drug discovery and informatics communities can meet and combine ideas, concepts and solutions. January 19, 2005 Quantum Pharmaceuticals will participate in the U.S.-Russia Technology Symposium at Stanford University, February 17, 2005. This annual symposium is the premiere investor conference on Russian technology and emerging growth companies. It cultivates a transatlantic network of businesspeople and policymakers with an interest in Russian technology and publicizes such technology among investors unfamiliar with Russia’s scientific potential. Former U.S. Secretary of Defense William Perry and Russian Minister of Education and Science Andrey Fursenko are co-chairs of the Symposium, which is a Dow Jones/Wall Street Journal event. The 2005 Symposium will take place February 17-18, 2005. Among the speakers are Craig Barrett (CEO, Intel), Craig Mundie (Senior Vice President and CTO, Microsoft) Robert Grady (Managing Partner, Carlyle Venture Partners), Jan Kalicki (Counselor, International Strategy, Chevron) and many others. The results of Quantum Pharmaceuticals’ recent technological breakthrough in computational drug discovery and molecular modeling will be presented to the Symposium participants as an opportunity for strategic partnerships. Quantum Pharmaceuticals representatives have also been invited to visit the IBM Almaden Research Center during this visit. Special thanks to our IBM partners who invited us to take part in this event. October 20, 2004 Collaborative project of Quantum Pharmaceuticals, QuantumLead, received 2 awards in the Fifth Russian Venture Fair in St. Petersburg, the most significant annual event for the Russian venture capital market. The new project, QuantumLead, was presented to venture capitalists, interested in investing in Russia. This event brings together approximately 100 innovative small and medium sized hi-tech companies for networking with well-known groups such as the European Bank of Reconstruction and Development (EBRD), Baker&McKenzie law firm, Ernst & Young, PricewaterhouseCoopers, and Baring Vostok Capital Partners. September 14, 2004 Quantum Pharmaceuticals is proud to announce that it has been invited by the French Embassy’s; on Science and Technology in Russia to take part in the European Biotechnology Crossroads. The event brings together biotech's key players for the 8th edition of the European Biotechnology Crossroads, the sector's only major European event in 2004, where the focus will be on the theme “Biotechnology: from idea to markets”. The European Biotech Crossroads is one of the key annual events for biotechnology in Europe. Initiated in 1997 by the French Ministry of Research, it is organized in a different French city each year. More than 4,000 participants are expected, bringing together the most important key players in French biotech as well as an important representation from European and International biotech. In 2004, it is organized by the CCIMP (Chamber of Commerce and Industry for Marseille-Provence). July 1, 2004 Quantum Pharmaceuticals is offering all members of the pharmaceuticals and biotech communities the opportunity to test the docking program, which is part of Quantum2.0 at no cost. Quantum Pharmaceuticals has added a new page to its website that will allow researchers to upload any protein and ligand through the webpage. Quantum Pharmaceuticals will run the calculations and send the results--the optimal coordinates of the ligand with minimum pKd and free binding energy—to the researchers via email. June 14, 2004 Quantum Pharmaceuticals has created a new version of its drug discovery software—QUANTUM2.0. In the latest version, the method of calculation of entropy loss for the protein-ligand complex was advanced and a new model of the water environment in electrostatic and Van der Waals energy contributions for flexible molecules was applied. This new version was tested in order to compare the experimental free binding energy values calculated by QUANTUM2.0 with those calculated by FlexX, one of the most well-known docking programs on the market. This experiment, carried out for several dozen complexes taken from FlexX evaluation http://www.biosolveit.de/FlexX/, showed that the figures generated by QUANTUM were much closer to the experimental data than those calculated by FlexX. Our calculations of binding energy have a demonstrated accuracy of about 14 percent on average while those calculated by FlexX have an average accuracy of 53 percent. (results available as a pdf-file) May 11, 2004 Quantum Pharmaceuticals and the Russian Research Center “Kurchatov Institute” /Institute of Molecular Physics began collaboration in order to create models which describe the collective nature of van der Waals interactions. The goal of the collaboration is to study both the mutual influence of electric field fluctuations on multiple interacting atoms and the coupling between electric field and phonons which produces an analog of excitons. This model should provide a significant increase in the accuracy of calculations of the interaction energy for biomolecules. April 2004 Quantum Pharmaceuticals has found a number of novel inhibitors for HIV-1 Integrase with inhibition constant around 10^-7 mol/l. These inhibitors have demonstrated good properties as potential drug candidates and lead optimization in progress. Read more at HIV-1 integrase Computer Aided Drug Design February 2004 Quantum Pharmaceuticals’ molecular modeling technology platform was formed and tested versus experimental data. November 2003 Quantum Pharmaceuticals has raised its first round of venture financing.
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