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PMC:7544934 / 18675-19754 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
443 21-25 Gene denotes ACE2 Gene:59272
444 96-100 Gene denotes ACE2 Gene:59272
445 235-239 Gene denotes ACE2 Gene:59272
446 513-517 Gene denotes ACE2 Gene:59272
447 739-743 Gene denotes ACE2 Gene:59272
448 890-894 Gene denotes ACE2 Gene:59272
449 679-689 Species denotes SARS Cov-2 Tax:2697049
450 1034-1045 Species denotes coronavirus Tax:11118
451 30-40 Chemical denotes Naltrexone MESH:D009271
452 123-131 Chemical denotes SSAA09E2 MESH:C583223
453 136-148 Chemical denotes Bisoctrizole
454 267-277 Chemical denotes Naltrexone MESH:D009271
455 427-437 Chemical denotes Naltrexone MESH:D009271
456 584-594 Chemical denotes Naltrexone MESH:D009271
457 694-704 Chemical denotes Naltrexone MESH:D009271

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T141 0-116 Sentence denotes Further, we compared ACE2-RBD/Naltrexone binding affinity with some recently reported potential ACE2-RBD inhibitors.
T142 117-340 Sentence denotes Both (SSAA09E2 and Bisoctrizole) displayed an affinity score of −6.7 kcal/mol and −8.5 kcal/mol respectively with the ACE2-RBD complex as compared to Naltrexone which shows an affinity score of −6.01 kcal mol−1 (Figure S3).
T143 341-690 Sentence denotes Comparative analysis of docked conformation of two reported inhibitors as compared to Naltrexone revealed that the former two prefers to occupy the inner central cavity in ACE2-RBD complex (close to the N-terminus contact interface) and while Naltrexone occupied the core central surface with a greater number of contacts with the RBD of SARS Cov-2.
T144 691-895 Sentence denotes As Naltrexone occupies the central interface of ACE2-RBD complex, thus, it can be expected to break a greater number of crucial contacts which in turn can inhibit the binding of RBD to host receptor ACE2.
T145 896-1079 Sentence denotes Further in-vitro and in-vivo studies are required to understand the efficacy of these compounds to understand the molecular basis of anti-coronavirus activity or inhibitory potential.