Antitarget, anti-SARS-CoV-2 leads, drugs, and the drug discovery–genetics alliance perspective

C Pozzi, A Vanet, V Francesconi… - Journal of Medicinal …, 2023 - ACS Publications
The most advanced antiviral molecules addressing major SARS-CoV-2 targets (Main
protease, Spike protein, and RNA polymerase), compared with proteins of other human …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

[HTML][HTML] DNA aptamers inhibit SARS-CoV-2 spike-protein binding to hACE2 by an RBD-independent or dependent approach

AP Silwal, SKS Thennakoon, SP Arya, RM Postema… - Theranostics, 2022 - ncbi.nlm.nih.gov
Objective: Nobody knows when the COVID-19 pandemic will end or when and where the
next coronavirus will outbreak. Therefore, it is still necessary to develop SARS-CoV-2 …

Designing AbhiSCoVac-A single potential vaccine for all 'corona culprits': Immunoinformatics and immune simulation approaches

A Choudhury, PSS Gupta, SK Panda, MK Rana… - Journal of molecular …, 2022 - Elsevier
The coronaviridae family has generated highly virulent viruses, including the ones
responsible for three major pandemics in last two decades with SARS in 2002, MERS …

[HTML][HTML] Designing efficient multi-epitope peptide-based vaccine by targeting the antioxidant thioredoxin of bancroftian filarial parasite

S Gorai, NC Das, PSS Gupta, SK Panda… - Infection, Genetics and …, 2022 - Elsevier
Thioredoxin is a low molecular weight redox-active protein of filarial parasite that plays a
crucial role in downregulating the host immune response to prolong the survival of the …

Brilacidin demonstrates inhibition of SARS-CoV-2 in cell culture

A Bakovic, K Risner, N Bhalla, F Alem, TL Chang… - Viruses, 2021 - mdpi.com
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), the newly emergent
causative agent of coronavirus disease-19 (COVID-19), has resulted in more than two …

[HTML][HTML] SARS-CoV-2 cell entry and targeted antiviral development

Z Chen, R Du, JMG Achi, L Rong, Q Cui - Acta Pharmaceutica Sinica B, 2021 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of
the pandemic coronavirus disease 2019 (COVID-19), which threatens human health and …

Reverse vaccinology assisted design of a novel multi-epitope vaccine to target Wuchereria bancrofti cystatin: An immunoinformatics approach

NC Das, PSS Gupta, SK Panda, MK Rana… - International …, 2023 - Elsevier
Proteases are the critical mediators of immunomodulation exerted by the filarial parasites to
bypass and divert host immunity. Cystatin is a small (∼ 15 kDa) immunomodulatory filarial …

Identification of antiviral peptide inhibitors for receptor binding domain of SARS-CoV-2 omicron and its sub-variants: an in-silico approach

S Singh, HN Banavath, P Godara, B Naik, V Srivastava… - 3 Biotech, 2022 - Springer
Omicron, a variant of concern (VOC) of SARS-CoV-2, emerged in South Africa in November
2021. Omicron has been continuously acquiring a series of new mutations, especially in the …

Unmasking an allosteric binding site of the papain-like protease in SARS-CoV-2: molecular dynamics simulations of corticosteroids

SK Panda, PS Sen Gupta, S Karmakar… - The Journal of …, 2023 - ACS Publications
To date, mechanistic insights into many clinical drugs against COVID-19 remain unexplored.
Dexamethasone, a corticosteroid, is one of them. While treating the entire corticosteroid …