Recent advances in SARS-CoV-2 main protease inhibitors: from nirmatrelvir to future perspectives

A Citarella, A Dimasi, D Moi, D Passarella, A Scala… - Biomolecules, 2023 - mdpi.com
The main protease (Mpro) plays a pivotal role in the replication of severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) and is considered a highly conserved viral target …

Potential inhibitors targeting papain-like protease of SARS-CoV-2: two birds with one stone

H Jiang, P Yang, J Zhang - Frontiers in chemistry, 2022 - frontiersin.org
Severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2), the pathogen of the
Coronavirus disease-19 (COVID-19), is still devastating the world causing significant chaos …

Isolation and Characterization of an Endophytic Fungus Colletotrichum coccodes Producing Tyrosol From Houttuynia cordata Thunb. Using ITS2 RNA Secondary …

R Talukdar, S Padhi, AK Rai, M Masi… - … in bioengineering and …, 2021 - frontiersin.org
An endophytic fungus isolated from healthy leaf tissues of Houttuynia cordata Thunb., an
ethnomedicinal plant of North East India, showed a considerable amount of antimicrobial …

Advances in research on 3C-like protease (3CL pro) inhibitors against SARS-CoV-2 since 2020

R Chen, Y Gao, H Liu, H Li, W Chen, J Ma - RSC Medicinal Chemistry, 2023 - pubs.rsc.org
COVID-19 caused by SARS-CoV-2 in late 2019 is still threatening global human health.
Although some vaccines and drugs are available in the market, controlling the spread of the …

Recent advances in covalent drug discovery

D Schaefer, X Cheng - Pharmaceuticals, 2023 - mdpi.com
In spite of the increasing number of biologics license applications, the development of
covalent inhibitors is still a growing field within drug discovery. The successful approval of …

Repurposing of FDA‐approved drugs against active site and potential allosteric drug‐binding sites of COVID‐19 main protease

M Yuce, E Cicek, T Inan, AB Dag… - Proteins: Structure …, 2021 - Wiley Online Library
The novel coronavirus disease 2019 (COVID‐19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS‐CoV‐2) still has serious negative effects on health, social …

New insights into protein–protein interaction modulators in drug discovery and therapeutic advance

H Nada, Y Choi, S Kim, KS Jeong… - … and Targeted Therapy, 2024 - nature.com
Protein-protein interactions (PPIs) are fundamental to cellular signaling and transduction
which marks them as attractive therapeutic drug development targets. What were once …

ADMET profile and virtual screening of plant and microbial natural metabolites as SARS-CoV-2 S1 glycoprotein receptor binding domain and main protease inhibitors

S Padhi, M Masi, R Chourasia, Y Rajashekar… - European journal of …, 2021 - Elsevier
In an attempt to search for selective inhibitors against the SARS-CoV-2 which caused
devastating of lives and livelihoods across the globe, 415 natural metabolites isolated from …

ArkDTA: attention regularization guided by non-covalent interactions for explainable drug–target binding affinity prediction

M Gim, J Choe, S Baek, J Park, C Lee, M Ju… - …, 2023 - academic.oup.com
Motivation Protein–ligand binding affinity prediction is a central task in drug design and
development. Cross-modal attention mechanism has recently become a core component of …

Covalent small-molecule inhibitors of SARS-CoV-2 Mpro: insights into their design, classification, Biological Activity, and binding interactions

AM Shawky, FA Almalki, HA Alzahrani… - European Journal of …, 2024 - Elsevier
Since 2020, many compounds have been investigated for their potential use in the treatment
of SARS-CoV-2 infection. Among these agents, a huge number of natural products and FDA …