Discovery of inhibitors against SARS-CoV-2 associated fungal coinfections via virtual screening, ADMET evaluation, PASS, molecular docking, dynamics and pharmacophore studies

Author:

Serseg Talia12ORCID,Benarous Khedidja23ORCID,Serseg Menaouar4,Rehman Hafiz Muzzammel56,El Bakri Youness7,Goumri-Said Souraya8ORCID

Affiliation:

1. Natural Sciences department, Ecole Normale Supérieure Taleb Abderrahmane, Laghouat, Algeria

2. Fundamental Sciences Laboratory, Amar Telidji University, Laghouat, Algeria

3. Biology department, Amar Telidji University, Laghouat, Algeria

4. Laboratory of Hematology, Central Hospital of Army, Ain Naadja, Algiers, Algeria

5. School of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan

6. Alnoorians Group of Institutes 55-Elahi Bukhsh Park, Amir Road, Shad Bagh, Shad Bagh, Lahore, Pakistan

7. Department of Theoretical and Applied Chemistry, South Ural State University, Chelyabinsk, Russian Federation

8. College of Science, Physics Department, Alfaisal University, Riyadh, Saudi Arabia

Publisher

Informa UK Limited

Subject

General Energy,General Agricultural and Biological Sciences,General Environmental Science,General Biochemistry, Genetics and Molecular Biology,General Materials Science,General Mathematics,General Chemistry

Reference77 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. A Decade of Antifungal Leads from Natural Products: 2010–2019

3. Virtual Screening in Drug Discovery

4. Anulika, N. P., Ignatius, E. O., Raymond, E. S., Osasere, O.I. & Hilda, A. (2016). The chemistry of natural product: Plant secondary metabolites, International Journal of Technology Enhancements and Merging Engineering Research, 4(8), 1–9.

5. Delta variant and black fungal invasion: A bidirectional assault might worsen the massive second/third stream of COVID-19 outbreak in South-Asia

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