Role of inflammatory cytokines in COVID-19 patients: a review on molecular mechanisms, immune functions, immunopathology and immunomodulatory drugs to …

AA Rabaan, SH Al-Ahmed, J Muhammad, A Khan… - Vaccines, 2021 - mdpi.com
Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), is a severe pandemic of the current century. The vicious …

[HTML][HTML] Omicron variant (B. 1.1. 529) and its sublineages: What do we know so far amid the emergence of recombinant variants of SARS-CoV-2?

M Dhawan, ARA Saied, S Mitra, FA Alhumaydhi… - Biomedicine & …, 2022 - Elsevier
Since the start of the COVID-19 pandemic, numerous variants of SARS-CoV-2 have been
reported worldwide. The advent of variants of concern (VOCs) raises severe concerns amid …

Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review

S Ghahremanian, MM Rashidi, K Raeisi… - Journal of molecular …, 2022 - Elsevier
Since the commencement of the novel Coronavirus, the disease has quickly turned into a
worldwide crisis so that there has been growing attention in discovering possible hit …

Computer especially AI-assisted drug virtual screening and design in traditional Chinese medicine

Y Lin, Y Zhang, D Wang, B Yang, YQ Shen - Phytomedicine, 2022 - Elsevier
Abstract Background Traditional Chinese medicine (TCM), as a significant part of the global
pharmaceutical science, the abundant molecular compounds it contains is a valuable …

Efficacy of Phytochemicals Derived from Avicennia officinalis for the Management of COVID-19: A Combined In Silico and Biochemical Study

S Mahmud, GK Paul, M Afroze, S Islam, SBR Gupt… - Molecules, 2021 - mdpi.com
The recent coronavirus disease 2019 (COVID-19) pandemic is a global threat for healthcare
management and the economic system, and effective treatments against the pathogenic …

[HTML][HTML] Diverse immunological factors influencing pathogenesis in patients with COVID-19: a review on viral dissemination, immunotherapeutic options to counter …

AA Rabaan, SH Al-Ahmed, MA Garout, AM Al-Qaaneh… - Pathogens, 2021 - mdpi.com
The pathogenesis of coronavirus disease 2019 (COVID-19), caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), is still not fully unraveled. Though …

[HTML][HTML] In silico evaluation of Iranian medicinal plant phytoconstituents as inhibitors against main protease and the receptor-binding domain of SARS-CoV-2

SS Mousavi, A Karami, TM Haghighi, SG Tumilaar… - Molecules, 2021 - mdpi.com
The novel coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …

A comprehensive review of drug repurposing strategies against known drug targets of COVID-19

A Khataniar, U Pathak, S Rajkhowa, AN Jha - Covid, 2022 - mdpi.com
Drug repurposing is a more inexpensive and shorter approach than the traditional drug
discovery and development process. The concept of identifying a potent molecule from a …

Recent developments in free energy calculations for drug discovery

E King, E Aitchison, H Li, R Luo - Frontiers in molecular biosciences, 2021 - frontiersin.org
The grand challenge in structure-based drug design is achieving accurate prediction of
binding free energies. Molecular dynamics (MD) simulations enable modeling of …

[HTML][HTML] Plant-based phytochemical screening by targeting main protease of SARS-CoV-2 to design effective potent inhibitors

S Mahmud, S Biswas, GK Paul, MA Mita, MM Promi… - Biology, 2021 - mdpi.com
Simple Summary Virtual screening schemes, including molecular docking in conjunction
with molecular dynamics simulation, were accomplished, as they extend an ample …