col blocks we are bridge builder col blocks
COVID answers in Scientific Journals all over the world


38 Results       Page 1

 [1] 
Springer-Verlag: Journal of Molecular Modeling
  original article Date Title Authors   All Authors
1 [GO] 2023―Nov―11 Targeting the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) with synthetic/designer unnatural nucleoside analogs: an in silico study Subhendu Sekhar Bag, Sayantan Sinha, Soumya Dutta, Hirak Jyoti Baishya, Suravi Paul
2 [GO] 2023―May―22 Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2 Rayssa Ribeiro, Fernanda D. Botelho, Amanda M. V. Pinto, Antonia M. A. La Torre, Joyce S. F. D. Almeida, Steven R. LaPlante, et al. (+3)
3 [GO] 2023―May―12 Marine drugs as putative inhibitors against non-structural proteins of SARS-CoV-2: an in silico study Simran Patel, Haydara Hasan, Divyesh Umraliya, Bharat Kumar Reddy Sanapalli, Vidyasrilekha Yele
4 [GO] 2023―Apr―28 Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (Mpro): a computational study Unnati Patel, Krishna Desai, Ranjitsinh C. Dabhi, Jayesh J. Maru, Pranav S. Shrivastav
5 [GO] 2023―Apr―24 Binding affinity improvement analysis of multiple-mutant Omicron on 2019-nCov to human ACE2 by in silico predictions Bo Li, Jindan Guo, Wenxiang Hu, Yubao Chen
6 [GO] 2023―Apr―13 Exploring potential SARS-CoV-2 Mpro non-covalent inhibitors through docking, pharmacophore profile matching, molecular dynamic simulation, and MM-GBSA Yunfan Shi, Liting Dong, Zhuang Ju, Qiufu Li, Yanru Cui, Yiran Liu, et al. (+2)
7 [GO] 2023―Apr―05 In silico identification and molecular dynamic simulations of derivatives of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide against main protease 3CLpro of SARS-CoV-2 viral infection Prashasti Sinha, Anil Kumar Yadav
8 [GO] 2023―Mar―24 Molecular recognition of SARS-CoV-2 spike protein with three essential partners: exploring possible immune escape mechanisms of viral mutants Yan Cheng, Dan Zheng, Derong Zhang, Du Guo, Yueteng Wang, Wei Liu, et al. (+3)
9 [GO] 2023―Feb―23 In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing Eslam A. R. Mohamed, Islam M. Abdel-Rahman, Magdi E. A. Zaki, Ahmad Al-Khdhairawi, Mahmoud M. Abdelhamid, Ahmad M. Alqaisi, et al. (+5)
10 [GO] 2022―Nov―29 In silico evaluation of flavonoids as potential inhibitors of SARS-CoV-2 main nonstructural proteins (Nsps)-amentoflavone as a multitarget candidate Andrés Portilla-Martínez, Miguel Ortiz-Flores, Isabel Hidalgo, Cristian Gonzalez-Ruiz, Eduardo Meaney, Guillermo Ceballos, Nayelli Nájera
11 [GO] 2022―Nov―07 Modeling studies on the role of vitamins B1 (thiamin), B3 (nicotinamide), B6 (pyridoxamine), and caffeine as potential leads for the drug design against COVID-19 Mohammad Aghamohammadi, Mehdi Sirouspour, Arlan S. Goncalves, Tanos Celmar Costa França, Steven R. LaPlante, Parvin Shahdousti
12 [GO] 2022―Oct―12 Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLpro: insights from computational chemistry studies Pablo Andrei Nogara, Folorunsho Bright Omage, Gustavo Roni Bolzan, Cássia Pereira Delgado, Laura Orian, João Batista Teixeira Rocha
13 [GO] 2022―Oct―11 Fluorinated derivatives of tetrahydroaltersolanol molecule on COVID-19, HIV, and HTLV protease by DFT and molecular docking approaches Maliheh Azadparvar, M. Kheirabadi, H. A. Rahnamaye Aliabad
14 [GO] 2022―Oct―07 In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main Protease Adrian Josiah T. Cheng, Stephani Joy Y. Macalino, Junie B. Billones, Marilen Parungao Balolong, Lyre Anni E. Murao, Maria Constancia O. Carrillo
15 [GO] 2022―Sep―08 A comparative study of receptor interactions between SARS-CoV and SARS-CoV-2 from molecular modeling Hien T. T. Lai, Ly H. Nguyen, Anh D. Phan, Agata Kranjc, Toan T. Nguyen, Duc Nguyen-Manh
16 [GO] 2022―Aug―29 Natural inhibitors of SARS-CoV-2 main protease: structure based pharmacophore modeling, molecular docking and molecular dynamic simulation studies Mohammad Halimi, Parvindokht Bararpour
17 [GO] 2022―Aug―24 Butein as a potential binder of human ACE2 receptor for interfering with SARS-CoV-2 entry: a computer-aided analysis Neha Kapoor, Soma Mondal Ghorai, Prem Kumar Khuswaha, Rakeshwar Bandichhor, Simone Brogi
18 [GO] 2022―Jul―19 Study of protease-mediated processes initiating viral infection and cell-cell viral spreading of SARS-CoV-2 Thanawat Thaingtamtanha, Stephan A. Baeurle
19 [GO] 2022―Jul―06 Bioactive components of different nasal spray solutions may defeat SARS-Cov2: repurposing and in silico studies Mohammad Faheem Khan, Waseem Ahmad Ansari, Tanveer Ahamad, Mohsin Ali Khan, Zaw Ali Khan, Aqib Sarfraz, Mohd Aamish Khan
20 [GO] 2022―Jun―24 Peptide mediated colorimetric detection of SARS-CoV-2 using gold nanoparticles: a molecular dynamics simulation study Nitu Verma, Yogesh Badhe, Rakesh Gupta, Auhin Kumar Maparu, Beena Rai
21 [GO] 2022―May―16 Repurposing the natural compounds as potential therapeutic agents for COVID-19 based on the molecular docking study of the main protease and the receptor-binding domain of spike protein Vajiheh Eskandari
22 [GO] 2022―May―11 Indole alkaloids as potential candidates against COVID-19: an in silico study Mehran Mohseni, Hamed Bahrami, Bahman Farajmand, Faezeh Sadat Hosseini, Massoud Amanlou, Hafezeh Salehabadi
23 [GO] 2022―Apr―23 Probing the competitive inhibitor efficacy of frog-skin alpha helical AMPs identified against ACE2 binding to SARS-CoV-2 S1 spike protein as therapeutic scaffold to prevent COVID-19 P. Chandra Sekar, E. Srinivasan, G. Chandrasekhar, D. Meshach Paul, G. Sanjay, S. Surya, et al. (+2)
24 [GO] 2022―Mar―05 Different compounds against Angiotensin-Converting Enzyme 2 (ACE2) receptor potentially containing the infectivity of SARS-CoV-2: an in silico study Behzad Shahbazi, Ladan Mafakher, Ladan Teimoori-Toolabi
25 [GO] 2022―Feb―19 Metal oxide nanocage as drug delivery systems for Favipiravir, as an effective drug for the treatment of COVID-19: a computational study Chunchun Yao, Feng Xiang, Zhangyi Xu
26 [GO] 2021―Nov―03 Phenylethanoid glycosides as a possible COVID-19 protease inhibitor: a virtual screening approach Mario Bernardi, Mohammad Reza Ghaani, Omer Bayazeid
27 [GO] 2021―Oct―13 DFT calculations to investigate silver ions as a virucide from SARS-CoV-2 Jocelia Silva Machado Rodrigues, Aldimar Machado Rodrigues, Divanizia do Nascimento Souza, Erico Raimundo Pereira de Novais, Alzeir Machado Rodrigues, Glaura Caroena Azevedo de Oliveira, Andrea de Lima Ferreira Novais
28 [GO] 2021―Oct―04 Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs Nabeela Farhat, Asad U. Khan
29 [GO] 2021―Sep―04 Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics T. Pooventhiran, Ephraim Felix Marondedze, Penny Poomani Govender, Utsab Bhattacharyya, D. Jagadeeswara Rao, Elham S. Aazam, et al. (+3)
30 [GO] 2021―Jul―08 Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics Daniel M. Shadrack, Geradius Deogratias, Lucy W. Kiruri, Isaac Onoka, John-Mary Vianney, Hulda Swai, Stephen S. Nyandoro
31 [GO] 2021―Jul―08 Potential activity of Linezolid against SARS-CoV-2 using electronic and molecular docking study Nelson H. Morgon, Giulia S. Grandini, Maurício I. Yoguim, Caio M. Porto, Lucas C. Santana, Srijit Biswas, Aguinaldo R. de Souza
32 [GO] 2021―Jun―24 Molecular screening of glycyrrhizin-based inhibitors against ACE2 host receptor of SARS-CoV-2 Sajjad Ahmad, Yasir Waheed, Asma Abro, Sumra Wajid Abbasi, Saba Ismail
33 [GO] 2021―May―31 Plausible blockers of Spike RBD in SARS-CoV2-molecular design and underlying interaction dynamics from high-level structural descriptors Sankar Basu, Devlina Chakravarty, Dhananjay Bhattacharyya, Pampa Saha, Hirak K Patra
34 [GO] 2021―May―08 Analysis of natural compounds against the activity of SARS-CoV-2 NSP15 protein towards an effective treatment against COVID-19: a theoretical and computational biology approach Olaa Motwalli, Meshari Alazmi
35 [GO] 2021―Apr―17 Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19 Debarati Paul, Debadrita Basu, Shubhra Ghosh Dastidar
36 [GO] 2021―Feb―28 Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (Mpro) of SARS-CoV-2 Arabinda Ghosh, Monoswi Chakraborty, Anshuman Chandra, Mohamad Parvez Alam
37 [GO] 2020―Nov―12 Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSA Martiniano Bello, Alberto Martínez-Muñoz, Irving Balbuena-Rebolledo
38 [GO] 2020―Nov―11 Molecular basis for drug repurposing to study the interface of the S protein in SARS-CoV-2 and human ACE2 through docking, characterization, and molecular dynamics for natural drug candidates Meshari Alazmi, Olaa Motwalli
 [1] 

38 Results       Page 1



[de][en]

Last change 2023―Oct―27 12:08:13 UTC

© Daten-Quadrat 2022       Done in 0.011 sec