111 related articles for article (PubMed ID: 35228193)
1. De novo design of novel spike glycoprotein inhibitors using e-pharmacophore modeling, molecular hybridization, ADMET, quantum mechanics and molecular dynamics studies for COVID-19.
A Alzain A; Ismail A; Fadlelmola M; A Mohamed M; Mahjoub M; A Makki A; Elsaman T
Pak J Pharm Sci; 2022 Jan; 35(1(Supplementary)):313-321. PubMed ID: 35228193
[TBL] [Abstract][Full Text] [Related]
2. Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations.
Dhameliya TM; Nagar PR; Gajjar ND
Mol Divers; 2022 Oct; 26(5):2775-2792. PubMed ID: 35132518
[TBL] [Abstract][Full Text] [Related]
3. Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTD.
Bouback TA; Pokhrel S; Albeshri A; Aljohani AM; Samad A; Alam R; Hossen MS; Al-Ghamdi K; Talukder MEK; Ahammad F; Qadri I; Simal-Gandara J
Molecules; 2021 Aug; 26(16):. PubMed ID: 34443556
[TBL] [Abstract][Full Text] [Related]
4. Identification of SARS-CoV-2 Receptor Binding Inhibitors by In Vitro Screening of Drug Libraries.
David AB; Diamant E; Dor E; Barnea A; Natan N; Levin L; Chapman S; Mimran LC; Epstein E; Zichel R; Torgeman A
Molecules; 2021 May; 26(11):. PubMed ID: 34072087
[TBL] [Abstract][Full Text] [Related]
5. Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain-human angiotensin-converting enzyme 2 interface to combat SARS-CoV-2.
Gollapalli P; B S S; Rimac H; Patil P; Nalilu SK; Kandagalla S; Shetty P
J Biomol Struct Dyn; 2022 Apr; 40(6):2701-2714. PubMed ID: 33146070
[TBL] [Abstract][Full Text] [Related]
6. Inhibition of S-protein RBD and hACE2 Interaction for Control of SARSCoV- 2 Infection (COVID-19).
Nayak SK
Mini Rev Med Chem; 2021; 21(6):689-703. PubMed ID: 33208074
[TBL] [Abstract][Full Text] [Related]
7. Virtual Screening of Phytochemicals by Targeting HR1 Domain of SARS-CoV-2 S Protein: Molecular Docking, Molecular Dynamics Simulations, and DFT Studies.
Majeed A; Hussain W; Yasmin F; Akhtar A; Rasool N
Biomed Res Int; 2021; 2021():6661191. PubMed ID: 34095308
[TBL] [Abstract][Full Text] [Related]
8. Targeting the SARS-CoV-2 spike glycoprotein prefusion conformation: virtual screening and molecular dynamics simulations applied to the identification of potential fusion inhibitors.
Romeo A; Iacovelli F; Falconi M
Virus Res; 2020 Sep; 286():198068. PubMed ID: 32565126
[TBL] [Abstract][Full Text] [Related]
9. Marine algal antagonists targeting 3CL protease and spike glycoprotein of SARS-CoV-2: a computational approach for anti-COVID-19 drug discovery.
Arunkumar M; Gunaseelan S; Kubendran Aravind M; Mohankumar V; Anupam P; Harikrishnan M; Siva A; Ashokkumar B; Varalakshmi P
J Biomol Struct Dyn; 2022; 40(19):8961-8988. PubMed ID: 34014150
[TBL] [Abstract][Full Text] [Related]
10. Screening, simulation, and optimization design of small molecule inhibitors of the SARS-CoV-2 spike glycoprotein.
Sun C; Zhang J; Wei J; Zheng X; Zhao X; Fang Z; Xu D; Yuan H; Liu Y
PLoS One; 2021; 16(1):e0245975. PubMed ID: 33493227
[TBL] [Abstract][Full Text] [Related]
11. Withanone from
Balkrishna A; Pokhrel S; Singh H; Joshi M; Mulay VP; Haldar S; Varshney A
Drug Des Devel Ther; 2021; 15():1111-1133. PubMed ID: 33737804
[TBL] [Abstract][Full Text] [Related]
12. Virtual screening and in vitro validation of natural compound inhibitors against SARS-CoV-2 spike protein.
Power H; Wu J; Turville S; Aggarwal A; Valtchev P; Schindeler A; Dehghani F
Bioorg Chem; 2022 Feb; 119():105574. PubMed ID: 34971947
[TBL] [Abstract][Full Text] [Related]
13. ACE-2-Derived Biomimetic Peptides for the Inhibition of Spike Protein of SARS-CoV-2.
Panda SK; Sen Gupta PS; Biswal S; Ray AK; Rana MK
J Proteome Res; 2021 Feb; 20(2):1296-1303. PubMed ID: 33472369
[TBL] [Abstract][Full Text] [Related]
14. An Updated Review on Betacoronavirus Viral Entry Inhibitors: Learning from Past Discoveries to Advance COVID-19 Drug Discovery.
Sabbah DA; Hajjo R; Bardaweel SK; Zhong HA
Curr Top Med Chem; 2021; 21(7):571-596. PubMed ID: 33463470
[TBL] [Abstract][Full Text] [Related]
15. Design of novel viral attachment inhibitors of the spike glycoprotein (S) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) through virtual screening and dynamics.
Oany AR; Mia M; Pervin T; Junaid M; Hosen SMZ; Moni MA
Int J Antimicrob Agents; 2020 Dec; 56(6):106177. PubMed ID: 32987103
[TBL] [Abstract][Full Text] [Related]
16. Potential therapeutic approaches for the early entry of SARS-CoV-2 by interrupting the interaction between the spike protein on SARS-CoV-2 and angiotensin-converting enzyme 2 (ACE2).
Xiang Y; Wang M; Chen H; Chen L
Biochem Pharmacol; 2021 Oct; 192():114724. PubMed ID: 34371003
[TBL] [Abstract][Full Text] [Related]
17. Structure based Drug Designing Approaches in SARS-CoV-2 Spike Inhibitor Design.
Shanmugam A; Venkattappan A; Gromiha MM
Curr Top Med Chem; 2022; 22(29):2396-2409. PubMed ID: 36330617
[TBL] [Abstract][Full Text] [Related]
18. Repurposing of anticancer phytochemicals for identifying potential fusion inhibitor for SARS-CoV-2 using molecular docking and molecular dynamics (MD) simulations.
Patel CN; Goswami D; Sivakumar PK; Pandya HA
J Biomol Struct Dyn; 2022 Oct; 40(17):7744-7761. PubMed ID: 33749528
[TBL] [Abstract][Full Text] [Related]
19. Computational design of ultrashort peptide inhibitors of the receptor-binding domain of the SARS-CoV-2 S protein.
Pei P; Qin H; Chen J; Wang F; He C; He S; Hong B; Liu K; Qiao R; Fan H; Tong Y; Chen L; Luo SZ
Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 34180984
[TBL] [Abstract][Full Text] [Related]
20.
Tiwari V
Biol Open; 2020 Oct; 9(10):. PubMed ID: 32878881
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
