http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2022049567-A2
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_f191b58aec89c93134e493478cd5ee96 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_f0f35c08d6651c95d186cca368926d0e http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_da16e082b5454a5b0520ddb0a23e095c http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_bc0d1219d73a3a4d2c508468d19ec18b http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_84b1f5e335d30d0027d435d1d34dbdf0 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_e2c0b662367871ebaf056220581a3848 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_b5bb018812de5f9a13a82f805ba30de5 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_ae12ae51cca6c67a6cd8cda4501ffcc3 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_e8d96e4238794cc1fe4a2708d378c065 |
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N2500-00 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07D295-26 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/A61P31-14 |
| filingDate | 2021-12-16-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e9cb615df96a41b74ee726ec9afad5e5 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2ee74dd2df0fb7979167304db19e6d0e http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e19a561680ca3dd430d4f7251dc60a9c http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e3df3e78a179617e32dbbd08a04ef6cc http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_7f967bc5dcebb7c828095ec5f72d8a2c http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f083c04e4af90a55d8a1aefd39886b17 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_a859e70e47259d91a845ad7beaeea047 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_0378d4e28ee9e4897f27b00ee7d0f0f5 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e2090099470857cf88734f6cc1816f3b |
| publicationDate | 2022-03-10-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | WO-2022049567-A2 |
| titleOfInvention | Synthesis and in silico studies of novel anti-sars-cov sulfonamides as potential inhibitors against covid-19 protein target: sars-cov-2 main protease (m pro ) |
| abstract | A cluster of pneumonia cases and COVID-19 pandemic that started in Wuhan, China, was caused by novel beta coronavirus, the 2019 novel coronavirus (2019-nCoV). This has led to many number of deaths and many were infected worldwide owing to the absence of effective therapies against coronavirus 2 of the severe acute respiratory syndrome (SARS-CoV-2). Viral maturation requires the activity of the main viral protease (Mpro) and thereby, inhibition stops the advancement of the disease. The current invention delivers a potential anti-viral drug candidates docked against 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), 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, Hydroxychloquine and Umifenovir docked with 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. |
| priorityDate | 2021-04-28-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
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