165 related articles for article (PubMed ID: 36510678)
1. Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study.
Chinnamadhu A; Ramakrishnan J; Suresh S; Ramadurai P; Poomani K
J Biomol Struct Dyn; 2023 Dec; 41(20):10396-10410. PubMed ID: 36510678
[TBL] [Abstract][Full Text] [Related]
2. Targeting the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) with synthetic/designer unnatural nucleoside analogs: an in silico study.
Bag SS; Sinha S; Dutta S; Baishya HJ; Paul S
J Mol Model; 2023 Nov; 29(12):366. PubMed ID: 37950101
[TBL] [Abstract][Full Text] [Related]
3. Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study.
Chinnamadhu A; Ramakrishnan J; Suresh S; Poomani K
J Biomol Struct Dyn; 2024 May; 42(8):4283-4296. PubMed ID: 37301607
[TBL] [Abstract][Full Text] [Related]
4. Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and molecular dynamics simulation.
Aziz S; Waqas M; Mohanta TK; Halim SA; Iqbal A; Ali A; Khalid A; Abdalla AN; Khan A; Al-Harrasi A
J Infect Public Health; 2023 Apr; 16(4):501-519. PubMed ID: 36801630
[TBL] [Abstract][Full Text] [Related]
5. Identification of FDA approved drugs against SARS-CoV-2 RNA dependent RNA polymerase (RdRp) and 3-chymotrypsin-like protease (3CLpro), drug repurposing approach.
Molavi Z; Razi S; Mirmotalebisohi SA; Adibi A; Sameni M; Karami F; Niazi V; Niknam Z; Aliashrafi M; Taheri M; Ghafouri-Fard S; Jeibouei S; Mahdian S; Zali H; Ranjbar MM; Yazdani M
Biomed Pharmacother; 2021 Jun; 138():111544. PubMed ID: 34311539
[TBL] [Abstract][Full Text] [Related]
6. Identification of SARS-CoV-2 RNA dependent RNA polymerase inhibitors using pharmacophore modelling, molecular docking and molecular dynamics simulation approaches.
Pundir H; Joshi T; Pant M; Bhat S; Pandey J; Chandra S; Tamta S
J Biomol Struct Dyn; 2022; 40(24):13366-13377. PubMed ID: 34637693
[TBL] [Abstract][Full Text] [Related]
7.
Patil SM; Martiz RM; Ramu R; Shirahatti PS; Prakash A; Chandra S J; Ranganatha VL
J Biomol Struct Dyn; 2022; 40(23):13032-13048. PubMed ID: 34632942
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Screening of Severe Acute Respiratory Syndrome Coronavirus 2 RNA-Dependent RNA Polymerase Inhibitors Using Computational Approach.
Dhankhar P; Dalal V; Kumar V
J Comput Biol; 2021 Dec; 28(12):1228-1247. PubMed ID: 34847746
[TBL] [Abstract][Full Text] [Related]
10. 25 (S)-Hydroxycholesterol acts as a possible dual enzymatic inhibitor of SARS-CoV-2 M
Alzahrani FA; Alkarim SA; Hawsawi YM; Abdulaal WH; Albiheyri R; Kurdi B; Alguridi H; El-Magd MA
J Biomol Struct Dyn; 2023 Jul; 41(10):4744-4755. PubMed ID: 35510619
[TBL] [Abstract][Full Text] [Related]
11. Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation.
Aouidate A; Ghaleb A; Chtita S; Aarjane M; Ousaa A; Maghat H; Sbai A; Choukrad M; Bouachrine M; Lakhlifi T
J Biomol Struct Dyn; 2021 Aug; 39(12):4522-4535. PubMed ID: 32552534
[TBL] [Abstract][Full Text] [Related]
12. Covalent Inhibitors from Saudi Medicinal Plants Target RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2.
Bakheit AH; Saquib Q; Ahmed S; Ansari SM; Al-Salem AM; Al-Khedhairy AA
Viruses; 2023 Oct; 15(11):. PubMed ID: 38005857
[TBL] [Abstract][Full Text] [Related]
13. Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2
Singh S; Sk MF; Sonawane A; Kar P; Sadhukhan S
J Biomol Struct Dyn; 2021 Oct; 39(16):6249-6264. PubMed ID: 32720577
[TBL] [Abstract][Full Text] [Related]
14. Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2:
Dhote AM; Patil VR; Lokwani DK; Amnerkar ND; Ugale VG; Charbe NB; Bhongade BA; Khadse SC
J Biomol Struct Dyn; 2022; 40(22):11914-11931. PubMed ID: 34431452
[TBL] [Abstract][Full Text] [Related]
15. Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches.
Sharma A; Vora J; Patel D; Sinha S; Jha PC; Shrivastava N
J Biomol Struct Dyn; 2022 Apr; 40(7):3296-3311. PubMed ID: 33183178
[TBL] [Abstract][Full Text] [Related]
16. Black tea bioactives as inhibitors of multiple targets of SARS-CoV-2 (3CLpro, PLpro and RdRp): a virtual screening and molecular dynamic simulation study.
Gogoi M; Borkotoky M; Borchetia S; Chowdhury P; Mahanta S; Barooah AK
J Biomol Struct Dyn; 2022 Sep; 40(15):7143-7166. PubMed ID: 33715595
[TBL] [Abstract][Full Text] [Related]
17. Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19.
Rafi MO; Bhattacharje G; Al-Khafaji K; Taskin-Tok T; Alfasane MA; Das AK; Parvez MAK; Rahman MS
J Biomol Struct Dyn; 2022 May; 40(8):3711-3730. PubMed ID: 33251975
[TBL] [Abstract][Full Text] [Related]
18. Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.
Patil VR; Dhote AM; Patil R; Amnerkar ND; Lokwani DK; Ugale VG; Charbe NB; Firke SD; Chaudhari P; Shah SK; Mehta CH; Nayak UY; Khadse SC
J Biomol Struct Dyn; 2023; 41(22):13168-13179. PubMed ID: 36757134
[TBL] [Abstract][Full Text] [Related]
19.
Doharey PK; Singh V; Gedda MR; Sahoo AK; Varadwaj PK; Sharma B
J Biomol Struct Dyn; 2022 Aug; 40(12):5588-5605. PubMed ID: 33475021
[TBL] [Abstract][Full Text] [Related]
20. Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations.
Ramakrishnan J; Kandasamy S; Iruthayaraj A; Magudeeswaran S; Chinnasamy K; Poomani K
Appl Biochem Biotechnol; 2021 Jun; 193(6):1909-1923. PubMed ID: 33512650
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
