176 related articles for article (PubMed ID: 34046603)
41. In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing.
Kumar Y; Singh H; Patel CN
J Infect Public Health; 2020 Sep; 13(9):1210-1223. PubMed ID: 32561274
[TBL] [Abstract][Full Text] [Related]
42. Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
Rehman HM; Sajjad M; Ali MA; Gul R; Naveed M; Aslam MS; Shinwari K; Bhinder MA; Ghani MU; Saleem M; Rather MA; Ahmad I; Amin A
Int J Biol Macromol; 2023 May; 237():124169. PubMed ID: 36990409
[TBL] [Abstract][Full Text] [Related]
43. 2-Phenoxyacetamide derivatives as SARS-CoV-2 main protease inhibitor: In silico studies.
Hariyono P; Dwiastuti R; Yusuf M; Salin NH; Hariono M
Results Chem; 2022 Jan; 4():100263. PubMed ID: 34926138
[TBL] [Abstract][Full Text] [Related]
44. In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors.
Ibrahim MAA; Abdelrahman AHM; Hussien TA; Badr EAA; Mohamed TA; El-Seedi HR; Pare PW; Efferth T; Hegazy MF
Comput Biol Med; 2020 Nov; 126():104046. PubMed ID: 33065388
[TBL] [Abstract][Full Text] [Related]
45. Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates.
Yoshino R; Yasuo N; Sekijima M
Sci Rep; 2020 Jul; 10(1):12493. PubMed ID: 32719454
[TBL] [Abstract][Full Text] [Related]
46. Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target.
Arun KG; Sharanya CS; Abhithaj J; Francis D; Sadasivan C
J Biomol Struct Dyn; 2021 Aug; 39(13):4647-4658. PubMed ID: 32571168
[TBL] [Abstract][Full Text] [Related]
47. Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 M
Purohit P; Dash JJ; Muya JT; Meher BR
J Biomol Struct Dyn; 2023 Jun; 41(9):3900-3913. PubMed ID: 35388744
[TBL] [Abstract][Full Text] [Related]
48. Discovery of New Hydroxyethylamine Analogs against 3CL
Kumar S; Sharma PP; Shankar U; Kumar D; Joshi SK; Pena L; Durvasula R; Kumar A; Kempaiah P; Poonam ; Rathi B
J Chem Inf Model; 2020 Dec; 60(12):5754-5770. PubMed ID: 32551639
[TBL] [Abstract][Full Text] [Related]
49. ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19.
Fakhar Z; Khan S; AlOmar SY; Alkhuriji A; Ahmad A
Sci Rep; 2021 Jan; 11(1):234. PubMed ID: 33420186
[TBL] [Abstract][Full Text] [Related]
50. Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study.
Ancy I; Sivanandam M; Kumaradhas P
J Biomol Struct Dyn; 2021 Sep; 39(15):5368-5375. PubMed ID: 32627689
[TBL] [Abstract][Full Text] [Related]
51. Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach.
Gupta Y; Kumar S; Zak SE; Jones KA; Upadhyay C; Sharma N; Azizi SA; Kathayat RS; Poonam ; Herbert AS; Durvasula R; Dickinson BC; Dye JM; Rathi B; Kempaiah P
Bioorg Med Chem; 2021 Oct; 47():116393. PubMed ID: 34509862
[TBL] [Abstract][Full Text] [Related]
52. Identification of Main Protease of Coronavirus SARS-CoV-2 (M
Elekofehinti OO; Iwaloye O; Famusiwa CD; Akinseye O; Rocha JBT
Curr Drug Discov Technol; 2021; 18(5):e17092020186048. PubMed ID: 32957889
[TBL] [Abstract][Full Text] [Related]
53. Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors.
Maltarollo VG; da Silva EB; Kronenberger T; Sena Andrade MM; de Lima Marques GV; Cândido Oliveira NJ; Santos LH; Oliveira Rezende Júnior C; Cassiano Martinho AC; Skinner D; Fajtová P; M Fernandes TH; Silveira Dos Santos ED; Rodrigues Gazolla PA; Martins de Souza AP; da Silva ML; Dos Santos FS; Lavorato SN; Oliveira Bretas AC; Carvalho DT; Franco LL; Luedtke S; Giardini MA; Poso A; Dias LC; Podust LM; Alves RJ; McKerrow J; Andrade SF; Teixeira RR; Siqueira-Neto JL; O'Donoghue A; de Oliveira RB; Ferreira RS
Future Med Chem; 2023 Jun; 15(11):959-985. PubMed ID: 37435731
[No Abstract] [Full Text] [Related]
54. Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.
Pavlova A; Lynch DL; Daidone I; Zanetti-Polzi L; Smith MD; Chipot C; Kneller DW; Kovalevsky A; Coates L; Golosov AA; Dickson CJ; Velez-Vega C; Duca JS; Vermaas JV; Pang YT; Acharya A; Parks JM; Smith JC; Gumbart JC
Chem Sci; 2021 Jan; 12(4):1513-1527. PubMed ID: 35356437
[TBL] [Abstract][Full Text] [Related]
55. Optimization Rules for SARS-CoV-2 M
Stoddard SV; Stoddard SD; Oelkers BK; Fitts K; Whalum K; Whalum K; Hemphill AD; Manikonda J; Martinez LM; Riley EG; Roof CM; Sarwar N; Thomas DM; Ulmer E; Wallace FE; Pandey P; Roy S
Viruses; 2020 Aug; 12(9):. PubMed ID: 32859008
[TBL] [Abstract][Full Text] [Related]
56. Investigating the structure-activity relationship of marine polycyclic batzelladine alkaloids as promising inhibitors for SARS-CoV-2 main protease (M
Elgohary AM; Elfiky AA; Pereira F; Abd El-Aziz TM; Sobeh M; Arafa RK; El-Demerdash A
Comput Biol Med; 2022 Aug; 147():105738. PubMed ID: 35777088
[TBL] [Abstract][Full Text] [Related]
57. Computational modeling of the bat HKU4 coronavirus 3CL
Abuhammad A; Al-Aqtash RA; Anson BJ; Mesecar AD; Taha MO
J Mol Recognit; 2017 Nov; 30(11):. PubMed ID: 28608547
[TBL] [Abstract][Full Text] [Related]
58. Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (M
Hayek-Orduz Y; Vásquez AF; Villegas-Torres MF; Caicedo PA; Achenie LEK; González Barrios AF
Sci Rep; 2022 Aug; 12(1):14030. PubMed ID: 35982147
[TBL] [Abstract][Full Text] [Related]
59. Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.
Pavlova A; Lynch DL; Daidone I; Zanetti-Polzi L; Smith MD; Chipot C; Kneller DW; Kovalevsky A; Coates L; Golosov AA; Dickson CJ; Velez-Vega C; Duca JS; Vermaas JV; Pang YT; Acharya A; Parks JM; Smith JC; Gumbart JC
bioRxiv; 2020 Sep; ():. PubMed ID: 32935106
[TBL] [Abstract][Full Text] [Related]
60. Discovery of 2-thiobenzimidazoles as noncovalent inhibitors of SARS-CoV-2 main protease.
Deodato D; Asad N; Dore TM
Bioorg Med Chem Lett; 2022 Sep; 72():128867. PubMed ID: 35760254
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]