Role of probiotics in the management of COVID-19: A computational perspective

QV Nguyen, LC Chong, YY Hor, LC Lew, IA Rather… - Nutrients, 2022 - mdpi.com
Coronavirus disease 2019 (COVID-19) was declared a pandemic at the beginning of 2020,
causing millions of deaths worldwide. Millions of vaccine doses have been administered …

[HTML][HTML] Plant-derived secondary metabolites as the main source of efflux pump inhibitors and methods for identification

AJ Seukep, V Kuete, L Nahar, SD Sarker… - Journal of pharmaceutical …, 2020 - Elsevier
The upsurge of multiple drug resistance (MDR) bacteria substantially diminishes the
effectiveness of antibiotic arsenal and therefore intensifies the rate of therapeutic failure. The …

[HTML][HTML] Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

MT ul Qamar, SM Alqahtani, MA Alamri… - Journal of pharmaceutical …, 2020 - Elsevier
The recent pandemic of coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has
raised global health concerns. The viral 3-chymotrypsin-like cysteine protease (3CL pro) …

Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach

SO Aftab, MZ Ghouri, MU Masood, Z Haider… - Journal of translational …, 2020 - Springer
Abstract Background The Severe acute respiratory syndrome-related coronavirus 2 (SARS-
CoV-2) outbreak originating in Wuhan, China, has raised global health concerns and the …

Identification of potential inhibitors of SARS-CoV-2 main protease from Aloe vera compounds: A molecular docking study

PT Mpiana, DST Tshibangu, JT Kilembe… - Chemical Physics …, 2020 - Elsevier
SARS-CoV-2 is the pathogen agent of the new corona virus disease that appeared at the
end of 2019 in China. There is, currently, no effective treatment against COVID-19. We report …

[HTML][HTML] Promising terpenes as SARS-CoV-2 spike receptor-binding domain (RBD) attachment inhibitors to the human ACE2 receptor: Integrated computational …

ZT Muhseen, AR Hameed, HMH Al-Hasani… - Journal of molecular …, 2020 - Elsevier
The spike protein receptor binding domain (S-RBD) is a necessary corona-viral protein for
binding and entry of coronaviruses (COVs) into the host cells. Hence, it has emerged as an …

Designing of a next generation multiepitope based vaccine (MEV) against SARS-COV-2: Immunoinformatics and in silico approaches

M Tahir ul Qamar, A Rehman, K Tusleem, UA Ashfaq… - PloS one, 2020 - journals.plos.org
Coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory
coronavirus 2 (SARS-COV-2) is a significant threat to global health security. Till date, no …

Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

MA Alamri, M Tahir ul Qamar, MU Mirza… - Journal of …, 2021 - Taylor & Francis
The SARS-CoV-2 was confirmed to cause the global pandemic of coronavirus disease 2019
(COVID-19). The 3-chymotrypsin-like protease (3CLpro), an essential enzyme for viral …

In vitro and in silico anti-dengue activity of compounds obtained from Psidium guajava through bioprospecting

AI Trujillo-Correa, DC Quintero-Gil… - … and alternative medicine, 2019 - Springer
Background For decades, bioprospecting has proven to be useful for the identification of
compounds with pharmacological potential. Considering the great diversity of Colombian …

Reverse vaccinology assisted designing of multiepitope-based subunit vaccine against SARS-CoV-2

M Tahir ul Qamar, F Shahid, S Aslam… - Infectious diseases of …, 2020 - Springer
Abstract Background Coronavirus disease 2019 (COVID-19) linked with severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) cause severe illness and life-threatening …