{"doi":"10.32383/appdr/144970","title":"The efficiency of some active ingredients of Arum Palaestinum as inhibitors to 3CLpro and Nsp15 proteins","abstract":"Two active coronaviral proteins (3CL pro and Nsp15) have been studied using both the GC-MS and docking methods. These coronaviral proteins have been examined with the methanol extract generated from leaves of the Arum palaestinum. According to the GC-MS findings, 19 major natural compounds are present in the plant's methanolic extract. The lowest Binding Energy (LBE) and the inhibition constant (K i ) have been used to identify and classify the potential of these lead drugs with their pharmacological properties. The affinity of these compounds with coronaviral proteins has been evaluated to reveal the usage of these compounds at the active sites of the receptors, 3CL pro (PDB ID: 6LU7) and Nsp15 (PDB ID: 6VWW). The results of -Sitosterol, Androstan-3-one, Phenobarbital, Maltose, and -Tocopherol show more affinity to Nsp15 and 3CL pro than to the supporting control drugs. Furthermore, an evaluation of the interactions of these components with the amino acids of 3CL pro and Nsp15 revealed that -Sitosterol has the best LBE score and K i value as compared with those of the approved medication and all other compounds under investigation. Consequently, these potential compounds may be modern inhibitors of coronavirus. Further in vitro and in vivo studies are needed for such computational findings.","journal":"Acta Poloniae Pharmaceutica - Drug Research","year":2022,"id":305547,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9596,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2022-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":902694,"name":"Morad Mustafa","orcid":"0000-0001-9442-9665","position":1,"is_corresponding":false},{"id":999400,"name":"Hammad Khalifeh Aldal’in","orcid":"0000-0001-5482-3625","position":2,"is_corresponding":false},{"id":999401,"name":"Ghassab M. Al‐Mazaideh","orcid":"0000-0003-4494-4284","position":3,"is_corresponding":false},{"id":999402,"name":"Sabry Younis Mahmoud","orcid":"0000-0001-9599-4754","position":4,"is_corresponding":false},{"id":999739,"name":"Eman Saleh Farrag","orcid":null,"position":5,"is_corresponding":false},{"id":902695,"name":"Mohammed Gharaibeh","orcid":"0000-0002-1048-5086","position":6,"is_corresponding":false},{"id":999403,"name":"Thameen Hijawi","orcid":"0000-0002-0435-8179","position":7,"is_corresponding":false},{"id":999404,"name":"Fuad Al‐Rimawi","orcid":"0000-0001-9341-6993","position":8,"is_corresponding":false},{"id":999405,"name":"Jehad Abbadi","orcid":"0000-0002-3023-6909","position":9,"is_corresponding":false},{"id":999406,"name":"Mohammed Helmy Faris Shalayel","orcid":"0000-0002-6968-8048","position":10,"is_corresponding":false},{"id":999740,"name":"Nadeem A. Siddique","orcid":null,"position":11,"is_corresponding":false},{"id":903306,"name":"Haya Ayyal Salman","orcid":null,"position":12,"is_corresponding":false},{"id":999407,"name":"Mohammed Ayed Huneif","orcid":"0000-0002-0497-1029","position":13,"is_corresponding":false},{"id":999738,"name":"Fadel Wedian","orcid":null,"position":0,"is_corresponding":true}],"reference_count":3,"raw_metadata":null,"created_at":"2026-07-19T00:32:41.290883Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}