Models, Theoretical < Molecular Docking Simulation < Molecular Dynamics Simulation

Facettes : Author.f

List of bibliographic references

Number of relevant bibliographic references: 38.
[0-20] [0 - 20][0 - 38][20-37][20-40]

Ident.	Authors (with country if any)	Title
000180 (2021)	Thiarlen Marinho Da Luz ; Amanda Pereira Da Costa Araújo ; Fernanda Neves Estrela ; Helyson Lucas Bezerra Braz ; Roberta Jeane Bezerra Jorge ; Ives Charlie-Silva ; Guilherme Malafaia	Can use of hydroxychloroquine and azithromycin as a treatment of COVID-19 affect aquatic wildlife? A study conducted with neotropical tadpole.
000270 (2021)	Arif Ali ; Nasim Sepay ; Mohd Afzal ; Nayim Sepay ; Abdullah Alarifi ; M. Shahid ; Musheer Ahmad	Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.
000307 (2021)	Yudibeth Sixto-L Pez ; José Correa-Basurto ; Martiniano Bello ; Bruno Landeros-Rivera ; Jose Antonio Garz N-Tiznado ; Sarita Monta O	Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population.
000395 (2021)	Meetali Sinha ; Anshika Gupta ; Shristee Gupta ; Prakrity Singh ; Shraddha Pandit ; Shweta Singh Chauhan ; Ramakrishnan Parthasarathi	Analogue discovery of safer alternatives to HCQ and CQ drugs for SAR-CoV-2 by computational design.
000397 (2020)	Petar M. Mitrasinovic	Prediction of Single Point Mutations in Human Coronavirus and Their Effects on Binding to 9-O-Acetylated Sialic Acid and Hidroxychloroquine.
000407 (2021)	Riadh Badraoui ; Mohd Adnan ; Fevzi Bardakci ; Mousa M. Alreshidi	Chloroquine and Hydroxychloroquine Interact Differently with ACE2 Domains Reported to Bind with the Coronavirus Spike Protein: Mediation by ACE2 Polymorphism.
000422 (2021)	Eric Duverger ; Guillaume Herlem ; Fabien Picaud	A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic.
000474 (2020)	Bruno Silva Andrade ; Preetam Ghosh ; Debmalya Barh ; Sandeep Tiwari ; Raner José Santana Silva ; Wagner Rodrigues De Assis Soares ; Tarcisio Silva Melo ; Andria Santos Freitas ; Patrícia González-Grande ; Lucas Sousa Palmeira ; Luiz Carlos Junior Alcantara ; Marta Giovanetti ; Arist Teles G Es-Neto ; Vasco Ariston De Carvalho Azevedo	Computational screening for potential drug candidates against the SARS-CoV-2 main protease.
000516 (2021)	Shweta A. More ; Akshay S. Patil ; Nikhil S. Sakle ; Santosh N. Mokale	Network analysis and molecular mapping for SARS-CoV-2 to reveal drug targets and repurposing of clinically developed drugs.
000678 (2021)	Jia Fu ; Qianqian Jia ; Huaxin Zhou ; Liyang Zhang ; Saisai Wang ; Peida Liang ; Yanni Lv ; Shengli Han	Cell membrane chromatography for the analysis of the interaction between chloroquine and hydroxychloroquine with ACE2 receptors.
000783 (2020)	Jebiti Haribabu ; Swaminathan Srividya ; Dharmasivam Mahendiran ; Dasararaju Gayathri ; Vemula Venkatramu ; Nattamai Bhuvanesh ; Ramasamy Karvembu	Synthesis of Palladium(II) Complexes via Michael Addition: Antiproliferative Effects through ROS-Mediated Mitochondrial Apoptosis and Docking with SARS-CoV-2.
000852 (2020)	Meshari Alazmi ; Olaa Motwalli	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.
000863 (2021)	Hesham Refaat ; Fatma M. Mady ; Hatem A. Sarhan ; Heba S. Rateb ; Eman Alaaeldin	Optimization and evaluation of propolis liposomes as a promising therapeutic approach for COVID-19.
000887 (2021)	C N Prashantha ; K. Gouthami ; L. Lavanya ; Sivaramireddy Bhavanam ; Ajay Jakhar ; R G Shakthiraju ; V. Suraj ; K V Sahana ; H S Sujana ; N M Guruprasad ; R. Ramachandra	Molecular screening of antimalarial, antiviral, anti-inflammatory and HIV protease inhibitors against spike glycoprotein of coronavirus.
000A04 (2020)	Sinosh Skariyachan ; Dharshini Gopal ; Shweta Chakrabarti ; Priya Kempanna ; Akshay Uttarkar ; Aditi G. Muddebihalkar ; Vidya Niranjan	Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs.
000A45 (2020)	Zhe Li ; Xin Li ; Yi-You Huang ; Yaoxing Wu ; Runduo Liu ; Lingli Zhou ; Yuxi Lin ; Deyan Wu ; Lei Zhang ; Hao Liu ; Ximing Xu ; Kunqian Yu ; Yuxia Zhang ; Jun Cui ; Chang-Guo Zhan ; Xin Wang ; Hai-Bin Luo	Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs.
000B07 (2020)	Soumya Basu ; Balaji Veeraraghavan ; Sudha Ramaiah ; Anand Anbarasu	Novel cyclohexanone compound as a potential ligand against SARS-CoV-2 main-protease.
000B08 (2020)	Sathish Kumar Chidambaram ; Daoud Ali ; Saud Alarifi ; Surendrakumar Radhakrishnan ; Idhayadhulla Akbar	In silico molecular docking: Evaluation of coumarin based derivatives against SARS-CoV-2.
000B19 (2020)	Doaa A. Abdelrheem ; Shimaa A. Ahmed ; H R Abd El-Mageed ; Hussein S. Mohamed ; Aziz A. Rahman ; Khaled N M. Elsayed ; Sayed A. Ahmed	The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation.
000B75 (2020)	A S Achutha ; V L Pushpa ; Surendran Suchitra	Theoretical Insights into the Anti-SARS-CoV-2 Activity of Chloroquine and Its Analogs and In Silico Screening of Main Protease Inhibitors.
000B82 (2020)	Assia Belhassan ; Fatima En-Nahli ; Hanane Zaki ; Tahar Lakhlifi ; Mohammed Bouachrine	Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach.

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