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IC_EX:G16C* AND EN_ALLTXT:(coronavirus OR coronaviruses OR coronaviridae OR coronavirinae OR orthocoronavirus OR orthocoronaviruses OR orthocoronaviridae OR orthocoronavirinae OR betacoronavirus OR betacoronaviruses OR betacoronaviridae OR betacoronavirinae OR sarbecovirus OR sarbecoviruses OR sarbecoviridae OR sarbecovirinae OR "severe acute respiratory syndrome" OR sars OR "2019 ncov" OR covid)

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Analysis

1.20190275101STRUCTURE OF GII.4 NOROVIRUS PROTEASE - DESIGN OF BROAD-SPECTRUM PROTEASE INHIBITORS
US 12.09.2019
Int.Class A61K 38/06
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
KPREPARATIONS FOR MEDICAL, DENTAL, OR TOILET PURPOSES
38Medicinal preparations containing peptides
04Peptides having up to 20 amino acids in a fully defined sequence; Derivatives thereof
06Tripeptides
Appl.No 16335349 Applicant Baylor College of Medicine Inventor B. Venkataram Prasad

The present disclosure concerns inhibitors of Norovirus protease that are suitable for use against any genotype of Norovirus, including at least GII.4 Norovirus proteases. In particular embodiments, specific compositions are encompassed, including their use for prevention or treatment of Norovirus infection in an individual.

2.2017315769Methods for the detection of genomic copy changes in DNA samples
AU 01.03.2018
Int.Class C12Q 1/68
CCHEMISTRY; METALLURGY
12BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
QMEASURING OR TESTING PROCESSES INVOLVING ENZYMES, NUCLEIC ACIDS OR MICROORGANISMS; COMPOSITIONS OR TEST PAPERS THEREFOR; PROCESSES OF PREPARING SUCH COMPOSITIONS; CONDITION-RESPONSIVE CONTROL IN MICROBIOLOGICAL OR ENZYMOLOGICAL PROCESSES
1Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions
68involving nucleic acids
Appl.No 2017315769 Applicant Resolution Bioscience, Inc. Inventor
The present invention includes compositions and methods useful for the detection of a mutational change, SNP, translocation, inversion, deletion, change in copy number, or other genetic variation within a sample of cellular genomic DNA or cell-free DNA (cfDNA). In some embodiments, the compositions and methods of the present invention provide an extremely high level of resolution that is particularly useful in detecting copy number variations in a small fraction of the total cfDNA from a biological sample (e.g., blood).
3.20190362816Systems and Methods for Developing Covalent Inhibitor Libraries for Screening Using Virtual Docking and Experimental Approaches
US 28.11.2019
Int.Class G16C 20/64
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
60In silico combinatorial chemistry
64Screening of libraries
Appl.No 16470021 Applicant Northwestern University Inventor Alexander V. Statsyuk

Disclosed are methods and systems for screening covalent ligand libraries to identify potential covalent inhibitors. The methods and systems may also be used to generate a covalent inhibitor library from natural ligands. These covalent inhibitors bind to the receptor irreversibly after initial reversible binding. The covalent inhibitor identified or designed using the present methods may specifically bind to and covalently modify a receptor.

4.20150025871Method for aligning molecules in three dimensions based upon their correspondence to an exemplary template molecule for use in performing 3D QSAR analyses
US 22.01.2015
Int.Class G16C 20/50
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
50Molecular design, e.g. of drugs
Appl.No 14337832 Applicant Richard D. Cramer Inventor Richard D. Cramer

A computerized procedure for aligning molecules for use in CoMFA or other 3D QSAR methodologies does not rely on fragmentation of the molecules instead, aligning molecules based upon comparison to identified template molecules. Initially an anchor bond is identified in the candidate and template molecule that have similar atoms at each end of the bonds. The anchor bond need not be an acyclic bond. The candidate molecule is overlaid onto the template molecule by aligning the anchor bonds. Starting and working away from the anchor bond, matching atoms or atom types between the candidate and template molecule are identified. Once all matching atoms have been identified, the 3D coordinates of the template atoms are assigned to the corresponding atoms in the candidate molecule to place the candidate molecule into alignment.

5.WO/2019/175680METHODS FOR PREDICTING THE GIBBS FREE ENERGY OF BIOCHEMICAL REACTIONS
WO 19.09.2019
Int.Class G16B 40/20
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
40ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
20Supervised data analysis
Appl.No PCT/IB2019/050136 Applicant KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY Inventor GAO, Xin
Embodiments of the present disclosure describe a fingerprint contribution method for predicting a Gibbs free energy of biochemical reactions, methods of training a fingerprint contribution model for predicting a Gibbs free energy of biochemical reactions, methods of predicting a Gibbs free energy of biochemical reactions, a non-transitory computer readable medium comprising instructions which, when read by a computing device, cause a processor to execute a method for predicting a Gibbs free energy of biochemical reactions, and the like.
6.20190375798EPITOPE FOCUSING BY VARIABLE EFFECTIVE ANTIGEN SURFACE CONCENTRATION
US 12.12.2019
Int.Class C07K 14/005
CCHEMISTRY; METALLURGY
07ORGANIC CHEMISTRY
KPEPTIDES
14Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof
005from viruses
Appl.No 16231294 Applicant Distributed Bio, Inc. Inventor Jacob E. GLANVILLE

The present disclosure provides compositions and methods for the generation of an antibody or immunogenic composition, such as a vaccine, through epitope focusing by variable effective antigen surface concentration. Generally, the composition and methods of the disclosure comprise three steps: a “design process” comprising one or more in silico bioinformatics steps to select and generate a library of potential antigens for use in the immunogenic composition; a “formulation process”, comprising in vitro testing of potential antigens, using various biochemical assays, and further combining two or more antigens to generate one or more immunogenic compositions; and an “administering” step, whereby the immunogenic composition is administered to a host animal, immune cell, subject or patient. Further steps may also be included, such as the isolation and production of antibodies raised by host immune response to the immunogenic composition.

7.20160089462Freshening compositions and devices comprising same
US 31.03.2016
Int.Class G06F 17/50
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
17Digital computing or data processing equipment or methods, specially adapted for specific functions
50Computer-aided design
Appl.No 14865089 Applicant The Procter & Gamble Company Inventor Gayle Marie Frankenbach

The present invention relates to freshening compositions and devices comprising same that comprise a composition having a viscosity of from about 1 mPa·s to about 50,000 mPa·s comprising malodor reduction compositions and methods of making and using such compositions. The disclosed malodor reduction compositions do not unduely interfere with the scent of the freshening compositions and devices that comprise such technologies and the perfumed or unperfumed situs that is treated with such freshening compositions and devices.

8.20170270239In vitro toxicogenomics for toxicity prediction using probabilistic component modeling and a compound-induced transcriptional response pattern
US 21.09.2017
Int.Class G16B 5/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
5ICT specially adapted for modelling or simulations in systems biology, e.g. gene-regulatory networks, protein interaction networks or metabolic networks
Appl.No 15313493 Applicant Roland Grafstrom Inventor Roland Grafstrom

A novel method to predict toxicity and dose-dependent effects of an agent based on transcriptomic data analysis, by determining a predictive toxicogenomics space (PTGS) score. The PTGS score helps to predict and model the toxicity of compounds typically consisting of chemicals, pharmaceuticals, cosmetics and agrochemicals. The invention further comprises methods of deriving the PTGS score, as well as computer programs to calculate PTGS scores.

9.20200013486DESIGN OF MOLECULES
US 09.01.2020
Int.Class G16C 20/50
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
50Molecular design, e.g. of drugs
Appl.No 16538475 Applicant University of Dundee Inventor Andrew Lee Hopkins

A method for computational drug design using an evolutionary algorithm, comprises evaluating virtual molecules according to vector distance (VD) to at least one achievement objective that defines a desired ideal molecule. In one method the invention comprises defining a set of n achievement objectives (OA1-n), where n is at least one; defining a population (PG=0) of at least one molecule; selecting an initial population (Pparent) of at least one molecule (I1-In) from the population (PG=0); and evaluating members (I1-In) of the initial population (Pparent) against at least one of the n achievement objectives (OA1-x), where x is from 1 to n.

10.20160196412Molecules
US 07.07.2016
Int.Class G06F 19/00
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
19Digital computing or data processing equipment or methods, specially adapted for specific applications
Appl.No 14986516 Applicant University of Dundee Inventor Andrew Lee Hopkins

A method for computational drug design using an evolutionary algorithm, comprises evaluating virtual molecules according to vector distance (VD) to at least one achievement objective that defines a desired ideal molecule. In one method the invention comprises defining a set of n achievement objectives (OA1-n), where n is at least one; defining a population (PG=0) of at least one molecule; selecting an initial population (Pparent) of at least one molecule (I1-In) from the population (PG=0); and evaluating members (I1-In) of the initial population (Pparent) against at least one of the n achievement objectives (OA1-x), where x is from 1 to n.