http://rdf.ncbi.nlm.nih.gov/pubchem/patent/AU-2021105099-A4
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_cfdb49b4e10f40429effe66aecfcde7a http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_fd860bf768370c675c8c32fe738dcb47 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_c1754537ce6555c8cec0c84d68e918ab http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_aec82715a7a85896a02d43d5e2562f12 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_0c5c3608040c681515a8f41b54574e26 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_58095fcde46a0d73a7e52919eed23bf1 http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_8de28e79e3c7964671d999bc9f96da4f http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_bafd2b217d7299971d089a8d3cf2051d http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_7fe6abf77e2f7367106c846b9cbb73ae http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_8df398e153a953df4d65ec5e3df1328d |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/A61K31-54 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07D295-26 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/A61P31-04 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/A61P31-10 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/A61P31-10 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/A61P31-04 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07D279-12 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/A61K31-54 |
| filingDate | 2021-08-08-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2021-10-14-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f82855aad29ec0ad09b58e7910e73204 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e6d5893f6c0e40cb4ac288add177eb80 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_93a60921c41d8d23e22d0777fff94309 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_d386bbf2a7f464db34c7c42f402e8569 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_ec48286e6bf2c8ff6b1c0c13eb4e81ce http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_db53394d965f24eb0f7a43b0fa7ae7d7 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_561d0976d6631cfd6aa8427300fef0d9 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_4fdff2522db0645e4f1282038973c96b http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_0053a49dce102efb9bf56ec8add34df7 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_3a181762ecc23845e273a70beea30dd2 |
| publicationDate | 2021-10-14-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | AU-2021105099-A4 |
| titleOfInvention | In silico screening, physicochemical and pharmacokinetic analysis of novel sulfonamides as potential antimicrobial drugs docked with protein targets: PDB: 2VF5, 1KZN and 1JIJ |
| abstract | For the first time, sulfonamides bearing thiomorpholine were synthesized by a facile single-step nprocess in good to excellent yields (82-94%). All the compounds were screened for in vitro nantimicrobial activities. Results demonstrated that 3a, 3c and 3d promising antimicrobial activities nagainst the screened bacterial and fungal strains when compared with the standard drugs nstreptomycin and ketoconazole at 12.5, 25, 50 and 100 pg/mL concentrations. This synthetic nprotocol provides a simple work-up procedure, excellent yields, shorter reaction times, low cost of nstarting substrates, and pharmacologically important new antimicrobial drugs. These drugs might nbe a promising drug candidate for further investigation. In silico molecular screening of these ncompounds gave an insight of drug-receptor interaction of synthesized novel six sulfonamides nbearing thiomorpholine. These derivatives were analyzed for antimicrobial activity via in silico nand in vitro studies. Physicochemical studies and BOILED- egg model ((the Brain Or IntestinaL nEstimateD permeation method) were evaluated. All derivatives fall under RO5 rule (Lipinski rule nof five). They showed zero violations whereas, marketed drugs showed three violations n(streptomycin) and one violation (ketoconazole). They all showed good oral drug bioavailability, ngood drug likeness and very low toxicity. Molecular docking results have been focused on high nfull fitness score, deltaG and binding energies against antimicrobial targets (PDB: 2VF5, 1KZN nand 1JIJ) which gave an insight of drug-receptor interaction of synthesized novel six sulfonamide nderivatives. They have been systematically docked with three antimicrobial protein targets n(PDB:2VF5, 1JIJ and 1KZN). As full fitness score, hydrogen binding interactions, binding energy nmodes and DeltaG value are the main parameters for evaluating the molecular docking studies and nevaluation of drug target interactions. All screened derivatives exhibited strong interactions with nthe respective protein targets, they showed maximum full fitness score, binding energy modes and nDeltaG values. The modified scaffolds exhibited higher efficacy over sulfonamides. These drugs nmight be a promising drug candidate for further investigation. |
| priorityDate | 2021-02-27-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 75.