DFT and MD investigations of the biomolecules of phenothiazine derivatives: interactions with gold and water molecules and investigations in search of effective drug for SARS-CoV-2-Reference-Cited by-同舟云学术

DFT and MD investigations of the biomolecules of phenothiazine derivatives: interactions with gold and water molecules and investigations in search of effective drug for SARS-CoV-2

Published:2022-04-26 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Al-Otaibi Jamelah S.¹,Mary Y. Sheena²,Mary Shyma²,Trivedi Ravi³,Chakraborty Brahmananda⁴⁵,Yadav Rohitash⁶,Celik Ismail⁷,Soman Sreejit⁸

Affiliation:

1. Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia

2. Thushara, Kollam, India

3. Department of Physics, Indian Institute of Technology, Mumbai, India

4. High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai, India

5. Homi Bhabha National Institute, Mumbai, India

6. Department of Pharmacology, All India Institute of Medical Sciences, Rishikesh, India

7. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Erciyes University, Kayseri, Turkey

8. Stemskills Research and Education Lab Private Limited, Faridabad, Hariyana, India

Funder

Princess Nourah bint Abdulrahman University

Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2068649

Reference82 articles.

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3. Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools

4. Bio-Rad Laboratories, Inc., SpectraBase. http://spectrabase.com/

5. Projector augmented-wave method

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