Drugs in silico
Last updated: 2021 Sep 7
Total hit(s): 146
S.No.
1
34334813
In search of SARS CoV-2 replication inhibitors: Virtual screening, molecular dynamics simulations and ADMET analysis
J Mol Struct
2021 Dec 15
2.19
1
2
34455932
In silico screening of FDA approved drugs against ACE2 receptor: potential therapeutics to inhibit the entry of SARS-CoV-2 to human cells
J Biomol Struct Dyn
2021 Aug 28
3.22
1
3
34455072
Drug repurposing for COVID-19 using computational screening: Is Fostamatinib/ R406 a potential candidate?
Methods
2021 Aug 26
1
4
34188005
The interaction of the severe acute respiratory syndrome coronavirus 2 spike protein with drug-inhibited angiotensin converting enzyme 2 studied by molecular dynamics simulation
J Hypertens
2021 Aug 1
3.67
1
5
34256255
Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulations
Comput Biol Med
2021 Aug
2.93
1
6
34271420
Efficient machine learning model for predicting drug-target interactions with case study for Covid-19
Comput Biol Chem
2021 Aug
1.69
1
7
34234012
Drugs repurposed for COVID-19 by virtual screening of 6,218 drugs and cell-based assay
Proc Natl Acad Sci U S A
2021 Jul 27
9.35
2
8
34308530
Target-Based In Silico Screening for Phytoactive Compounds Targeting SARS-CoV-2
Interdiscip Sci
2021 Jul 25
Cant find
1
9
34332348
Structure-based virtual screening suggests inhibitors of 3-Chymotrypsin-Like Protease of SARS-CoV-2 from Vernonia amygdalina and Occinum gratissimum
Comput Biol Med
2021 Jul 21
2.93
1
10
34278426
Corrigendum to: Computational design of ultrashort peptide inhibitors of the receptor-binding domain of the SARS-CoV-2 S protein
Brief Bioinform
2021 Jul 17
5.45
1
11
34226782
Docking-based virtual screening and identification of potential COVID-19 main protease inhibitors from brown algae
S Afr J Bot
2021 Jul 1
1
12
34090015
Screening of natural compounds from Cyperus rotundus Linn against SARS-CoV-2 main protease (M(pro)): An integrated computational approach
Comput Biol Med
2021 Jul
2.93
1
13
34209188
Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19
Int J Mol Sci
2021 Jun 30
4.21
1
14
34182889
In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2
J Biomol Struct Dyn
2021 Jun 28
3.22
1
15
34180984
Computational design of ultrashort peptide inhibitors of the receptor-binding domain of the SARS-CoV-2 S protein
Brief Bioinform
2021 Jun 26
5.45
1
16
34169729
Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening
Future Med Chem
2021 Jun 25
3.04
1
17
34171961
Retraction of: A Study of Potential SARS-CoV-2 Antiviral Drugs and Preliminary Research of Their Molecular Mechanism, Based on Anti-SARS-CoV Drug Screening and Molecular Dynamics Simulation (doi: 10.1089/cmb.2020.0112)
J Comput Biol
2021 Jun 25
1
18
34148541
Discovery of a ""Cocktail"" of Potential SARS-COV-2 Main Protease Inhibitors through Virtual Screening of Known Chemical Components of Vitex negundo L. (""Lagundi"")
Med Chem
2021 Jun 18
1
19
33823185
Virtual high throughput screening: Potential inhibitors for SARS-CoV-2 PL(PRO) and 3CL(PRO) proteases
Eur J Pharmacol
2021 Jun 15
3.24
1
20
34136758
Discovery of TMPRSS2 Inhibitors from Virtual Screening as a Potential Treatment of COVID-19
ACS Pharmacol Transl Sci
2021 Jun 11
14.357
1
21
33775840
Identification of non-covalent SARS-CoV-2 main protease inhibitors by a virtual screen of commercially available drug-like compounds
Bioorg Med Chem Lett
2021 Jun 1
1
22
34130375
Blocking the interactions between human ACE2 and coronavirus spike glycoprotein by selected drugs: a computational perspective
Environ Anal Health Toxicol
2021 Jun
1
23
34221065
Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
Res Pharm Sci
2021 Jun
1
24
33957246
Identification of non-covalent 3C-like protease inhibitors against severe acute respiratory syndrome coronavirus-2 via virtual screening of a Korean compound library
Bioorg Med Chem Lett
2021 May 3
1
25
34054246
Evaluation of potency of the selected bioactive molecules from Indian medicinal plants with M(Pro) of SARS-CoV-2 through in silico analysis
J Ayurveda Integr Med
2021 May 21
2.4
1