;

Articles Not Curated - Drugs in silico
Last updated: 2022 Jan 4
Total hit(s): 259
S.No.
1
34697505
Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity
J Mol Struct
2022 Feb 15
2.19
1
2
34697506
Structure-property relationship in thioxotriaza-spiro derivative: Crystal structure and molecular docking analysis against SARS-CoV-2 main protease
J Mol Struct
2022 Feb 15
2.19
1
3
34909068
Computational screening and biochemical analysis of Pistacia integerrima and Pandanus odorifer plants to find effective inhibitors against Receptor-Binding domain (RBD) of the spike protein of SARS-Cov-2
Arab J Chem
2022 Feb
1
4
34909067
A possible potential COVID-19 drug candidate: Diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate: Docking of disordered independent molecules of a novel crystal structure, HSA/DFT/XRD and cytotoxicity
Arab J Chem
2022 Feb
1
5
34722158
MicroRNAs based regulation of cytokine regulating immune expressed genes and their transcription factors in COVID-19
Meta Gene
2022 Feb
0.88
1
6
34404957
Molecular docking and dynamic simulations of Cefixime, Etoposide and Nebrodenside A against the pathogenic proteins of SARS-CoV-2
J Mol Struct
2022 Jan 5
2.19
2
7
34803333
Molecular docking and dynamics studies on propolis sulabiroin-A as a potential inhibitor of SARS-CoV-2
J King Saud Univ Sci
2022 Jan
2.94
1
8
34896453
Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
J Virol Methods
2021 Dec 9
1.76
1
9
34946540
Molecular Docking and Dynamics Investigations for Identifying Potential Inhibitors of the 3-Chymotrypsin-like Protease of SARS-CoV-2: Repurposing of Approved Pyrimidonic Pharmaceuticals for COVID-19 Treatment
Molecules
2021 Dec 9
3.01
1
10
34943719
A Closer Look at Dexamethasone and the SARS-CoV-2-Induced Cytokine Storm: In Silico Insights of the First Life-Saving COVID-19 Drug
Antibiotics (Basel)
2021 Dec 8
2.8
1
11
34873274
Comparative assessment of favipiravir and remdesivir against human coronavirus NL63 in molecular docking and cell culture models
Sci Rep
2021 Dec 6
4.12
1
12
34248201
Novel piperazine based compounds as potential inhibitors for SARS-CoV-2 Protease Enzyme: Synthesis and molecular docking study
J Mol Struct
2021 Dec 5
2.19
1
13
34876768
Identification of Papain-Like Protease inhibitors of SARS CoV-2 through HTVS, Molecular docking, MMGBSA and Molecular dynamics approach
S Afr J Bot
2021 Dec 3
1
14
34887342
LinearTurboFold: Linear-time global prediction of conserved structures for RNA homologs with applications to SARS-CoV-2
Proc Natl Acad Sci U S A
2021 Dec 28
9.35
2
15
34942634
Evolution of enhanced innate immune evasion by SARS-CoV-2
Nature
2021 Dec 23
24.36
4
16
34941025
Exploring potential mechanisms of Suhexiang Pill against COVID-19 based on network pharmacology and molecular docking
Medicine (Baltimore)
2021 Dec 23
0.03
1
17
34941111
Efficacy and safety of the combination of modern medicine and traditional Chinese medicine in pulmonary fibrosis caused by novel coronavirus disease: A protocol for Bayesian network meta-analysis
Medicine (Baltimore)
2021 Dec 23
0.03
1
18
34931597
In silico study of potential immunonutrient-based sports supplements against COVID-19 via targeting ACE2 inhibition using molecular docking and molecular dynamics simulations
J Biomol Struct Dyn
2021 Dec 21
3.22
1
19
34948390
Entrectinib-A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells
Int J Mol Sci
2021 Dec 18
4.21
1
20
34929375
Omicron N501Y mutation among SARS-CoV-2 lineages: In-silico analysis of potent binding to tyrosine kinase and hypothetical repurposed medicine
Travel Med Infect Dis
2021 Dec 17
3.42
2
21
34942397
Epicatechin is a promising novel inhibitor of SARS-CoV-2 entry by disrupting interactions between angiotensin-converting enzyme type 2 and the viral receptor binding domain: A computational/simulation study
Comput Biol Med
2021 Dec 17
2.93
1
22
34913847
An insight into SARS-CoV-2 membrane protein interaction with spike, envelope, and nucleocapsid proteins
J Biomol Struct Dyn
2021 Dec 16
3.22
1
23
34873910
Mechanisms of SARS-CoV-2 Evolution Revealing Vaccine-Resistant Mutations in Europe and America
J Phys Chem Lett
2021 Dec 16
7.33
2
24
34305175
Targeting SARS-CoV-2 main protease by teicoplanin: A mechanistic insight by docking, MM/GBSA and molecular dynamics simulation
J Mol Struct
2021 Dec 15
2.19
2
25
34922321
Developing RT-LAMP assays for rapid diagnosis of SARS-CoV-2 in saliva
EBioMedicine
2021 Dec 15
6.49
1