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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 / 30
1.WO/2022/081920SYSTEMS FOR AND METHODS OF TREATMENT SELECTION
WO - 21.04.2022
Int.Class G01N 33/567
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
33Investigating or analysing materials by specific methods not covered by groups G01N1/-G01N31/131
48Biological material, e.g. blood, urine; Haemocytometers
50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
53Immunoassay; Biospecific binding assay; Materials therefor
566using specific carrier or receptor proteins as ligand binding reagent
567utilising isolate of tissue or organ as binding agent
 Appl.No PCT/US2021/055096 Applicant THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Inventor KROGAN, Nevan
The disclosure relates to a system comprising software that predicts responsiveness of subjects to certain disease modifying drugs. Embodiments of the disclosure include methods comprising calculating a differential interaction score (DIS), correlating the DIS with the likelihood that a dysfunctional protein-protein interaction is the causal agent of a disease or disorder, and identifying a subject responsive to a treatment based upon the causal agent.
2.202141019538IN SILICO EVALUATION AND SYNTHESIS OF NOVEL SULFONAMIDES AS PROMISING ANTI-VIRAL LEAD MOLECULES DOCKED AGAINST ANTI-COVID-19 PROTEIN TARGETS: SARS-COV-2 MAIN PROTEASE
IN - 07.05.2021
Int.Class A61K /
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
KPREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
 Appl.No 202141019538 Applicant SAMPATH CHINNAM Inventor SAMPATH CHINNAM
COVID-19 pandemic has led us to design and develop novel organic molecules as medicinally promising lead molecules which can prevent the SARS-CoV-2 virus of the infected patients. The current invention provides potential anti-viral drugs docked against anti-COVID-19 protein targets: SARS-CoV-2 main protease, drug-likeness, efficacy, molecular docking, physicochemical and pharmacokinetic studies of novel synthesized sulfonamide analogues. Physicochemical and pharmacokinetic properties have been evaluated on the basis of certain parameters like Lipinski rule of 5 (RO5 rule) and ADMET (absorption, distribution, metabolism, excretion and toxicity). All the synthesized compounds follow Lipinski rule of five (RO5 rule) and the compounds followed the range of rotational bonds, hydrogen bond acceptors (HBA), hydrogen bond donors (HBD), topological surface area (TPSA), and number of violations, etc. All these compounds shown good pharmacokinetic properties, zero renal OCT2 substrate toxicity and negligible toxicity values. BOILED-egg model was carried out for evaluating the gastrointestinal absorption and brain penetration effect. Compounds 3b and 3d comes under white region of egg and exhibited good gastrointestinal absorption, whereas, 3a, 3c, 3e and 3f compounds fall under yellow region (yolk) of egg which showed good brain penetration effect. All novel sulfonamide analogues including commercially available anti-COVID-19 drugs, Hydroxychloroquine and Umifenovir docked with anti-COVID-19 protein targets, i.e., PDB: 6VWW & 6Y2E. Compound 3c when docked with PDB: 6VWW shown maximum energy of -22.06 kcal/mol with two hydrogen binding interactions which are better than marketed drugs. Similarly, compound 3a exhibited highest energy of -14.00 kcal/mol.
3.202111015754COMPUTATIONAL IDENTIFICATION OF INHIBITORY COMPOUNDS TARGETING 4 MAJOR PROTEINS OF SARS-COV-2
IN - 17.02.2023
Int.Class A61K /
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
KPREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
 Appl.No 202111015754 Applicant BENNETT UNIVERSITY Inventor SHILPA SHARMA
The present invention provides a therapeutic composition comprising essential oil compound identified from selected herbs based that is effective in inhibiting SARS-COV-2.More particularly, the present invention relates to a structure-based virtual screening of essential oil compounds and their potential inhibition property against major protein targets of SARS-CoV-2. The present invention particularly provides an intranasal/ respiratory tract administration of said essential oil based drug lead for rapid delivery into SARS-CoV-2 infected cells.
4.WO/2022/013781PEPTIDE EPITOPE VACCINES FOR COVID-19 AND METHOD OF DESIGNING, MAKING AND USING THE SAME
WO - 20.01.2022
Int.Class A61K 39/215
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
KPREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
39Medicinal preparations containing antigens or antibodies
12Viral antigens
215Coronaviridae, e.g. avian infectious bronchitis virus
 Appl.No PCT/IB2021/056355 Applicant UNIVERSITY OF SOUTHERN CALIFORNIA Inventor BOGDAN, Paul
Computer systems and computer implemented methods are presented for designing and making vaccines to pathogens, particular viral pathogens. Vaccine compositions for COVID-19 are also disclosed, as well as method of using the same.
5.202342021519POTENT SMALL-MOLECULE INHIBITORS TO DRUG THE UNDRUGGABLE CANCER TARGET
IN - 31.03.2023
Int.Class A61P /
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
PSPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
 Appl.No 202342021519 Applicant PILLAI UNIVERSAL LLC Inventor DR. BASKARAN PILLAI
TITLE: POTENT SMALL-MOLECULE INHIBITORS TO DRUG THEUNDRUGGABLE CANCER TARGET APPLICANT: PILLAI UNIVERSAL LLCABSTRACTThe present invention shall disclose a novel potent small molecule inhibitors to drug the undruggable cancer target for treating subjects with chronic disorder, comprising of structure in accordance with formula 1 Formula 1or any derivative thereof, pharmaceutically acceptable salt thereof, or combination thereofin which:R1 is alkyl or alkoxy;
6.202321009951A NOVEL APPROACH FOR THE TREATMENT OF SARS - COV-2
IN - 03.03.2023
Int.Class A61K /
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
KPREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
 Appl.No 202321009951 Applicant Rupali Rajesh Tasgaonkar Inventor Rupali Rajesh Tasgaonkar
ABSTRACTIntroductionCOVID-19, a new strain of coronavirus (CoV), was identified in Wuhan, China, in 2019. It then extended across the globe and was termed as pandemic in 2020. Though no vaccine or drug is available to combat this disease, it is necessary to look over it through alternative sciences. Material & MethodAvailable symptoms of covid 19 was thoroughly studied and reviewed through Ayurveda classics to understand the nature of the disease into Ayurevdic perspective. Other available sources from internet, pre prints, etc. The molecular Docking were done by Pyrx Software with Autodock. The Lipinski Rule of Five data generated from Swiss ADME software and Target prediction of selected phytoconstituents were done from Swiss target prediction.Result and DiscussionIn Ayurveda, it can be considered as Janapadaudhwans, vaat-kafaj sannipatik jwara, Aupsargik vyadhi and Dhatupaka awastha. In the molecular docking study the binding energy and inhibition of 6 Gingesulphonic acid from Zingiber Officinalis are greater than Hydroxychloroquine and quinine. Most of the selected phytoconstituents follow Lipinski rule of five. Target prediction of selected phytoconstituents were done on target of SARS-COV-2, humoral immunity and antiviral. Every selected phytoconstituents were work on minimum of the target.ConclusionThus, from the above results obtained from reviewing Ayurveda classics and from the results obtained after virtual screening of selected drugs we can conclude that Ginger can have appreciable results in combating Covid 19.
7.20240282411Multi-Reference Poly-Conformational Computational Methods for De-Novo Design, Optimization, and Repositioning of Pharmaceutical Compounds
US - 22.08.2024
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 18106479 Applicant Quantori LLC Inventor VADIM ALEXANDROV

The invention relates to a fast, alignment-free multi-objective optimization protocol MultiRef3D that maximizes 3D overlap of a query molecule's conformational ensemble with conformational ensembles of multiple reference ligands. Each conformation is treated as an independent entity and characterized by a vector of features (fingerprint) which describes its 3D shape along with the distribution of electrostatic charge across its molecular surface. The method proved to be useful for finding candidate drugs for multi-target disease indications, ligand-based drug design and drug repurposing applications.

8.202200591943D PHARMACOPHORE MODEL FOR THE RAPID COMPUTATIONAL SCREENING OF SARS-COV-2 MODULATORS AND COMPOSITIONS AND METHODS THEREOF
US - 24.02.2022
Int.Class G16C 20/40
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
40Searching chemical structures or physicochemical data
 Appl.No 17409433 Applicant FluoroMe, Inc., Inventor Dimitrios VLACHAKIS

The invention encompasses compositions and compounds for inhibiting CoV2 Spike GP and human ACE2 proteins and a 3D pharmacophore model described herein provides the means for rapid, high-throughput virtual screening of potential anti-CoV2 modulators thus facilitating, optimizing and speeding up the search for the discovery of a potent anti-COVID-19 agent and methods of treatment and prevention thereof.

9.WO/2024/182496ARTIFICIAL INTELLIGENCE ASSISTED COMPUTATIONAL FRAGMENT-BASED DRUG DESIGN
WO - 06.09.2024
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 PCT/US2024/017640 Applicant DREXEL UNIVERSITY Inventor JI, Hai-Feng
Provided herein are methods for improving drug discovery using artificial intelligence to identify compounds that are expected to have potent binding affinities at therapeutic targets of interest.
10.202221008681INHIBITORY POTENTIAL OF RESVERATROL AND ITS NATURAL ANALOGUES AGAINST RNA DEPENDANT RNA POLYMERASE (RDRP) OF RHIZOPUS ORYZAE IN MUCORMYCOSIS THROUGH IN SILICO INVESTIGATIONS
IN - 11.03.2022
Int.Class C07K /
CCHEMISTRY; METALLURGY
07ORGANIC CHEMISTRY
KPEPTIDES
 Appl.No 202221008681 Applicant MITHUN RUDRAPAL Inventor MITHUN RUDRAPAL
Mucormycosis (or black fungus infection) is a life-threatening, but rare fungal infection with predominant occurrence in immune-suppressed patients following the SARS-CoV-2 infection/ COVID-19 illness. Rhizopus oryzae causes about 70% of all cases of mucormycosis. The present invention provides insights to in silico investigations of resveratrol and its two natural analogues, piceatannol, and 3,5,4'-trimethoxy-trans-stilbene for their development as successful antifungal agents targeting the R. O. specific RNA dependant RNA polymerase (R. O. RdRp) to combat the deadly mucormycosis. In in silico studies, molecular docking, molecular dynamics (MD) simulations, density functional theory (DFT), drug-likeness and ADMET predictions were performed. The Ramachandran plot validated the predicted structure, and the the 3D structure predicted using the homology model was of acceptable quality. The findings of docking and MD simulations revealed that the resveratrol and its two natural analogues could potentially inhibit the R. O. RdRp. The present invention proves that resveratrol and its two natural analogues are the potential inhibitors of R. O. RdRp. Resveratrol and piceatannol possess promising in silico inhibitory potential against R. oryzae RdRp based on docking, molecular dynamics and DFT studies.
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