Shailly Tomar

Structural Insights and Inhibitor Discovery for Kyasanur Forest Disease Virus NS5 Methyltransferase

The paper reports the crystal structures of KFDV NS5 methyltransferase and evaluates HC and CAPE as inhibitors against the enzyme.

Structural basis of substrate recognition and conformational gating in the bacteriophage M15 metalloendopeptidase LysPH

This paper identifies a novel bacteriophage endolysin LysPH with broad antibacterial activity and elucidates its structural basis for substrate recognition and catalytic activation.

Mechanistic insights into the inhibition of dengue virus NS5 methyltransferase by herbacetin

This study identifies herbacetin as an inhibitor of dengue virus NS5 methyltransferase, revealing its binding mechanism and potential as a scaffold for antiviral drugs.

An Oral Combination therapy against SARS-CoV-2 based on Synergistic Action of Auranofin and Remdesivir.

This paper shows that combining Auranofin and Remdesivir synergistically inhibits SARS-CoV-2 in vitro and in animal models.

Structural insights into the RNA binding inhibitors of the C-terminal domain of the SARS-CoV-2 nucleocapsid

This paper evaluates three antibiotics as inhibitors of the SARS-CoV-2 N-protein's C-terminal domain (N-CTD), showing their binding affinity and structural interactions that disrupt RNA packaging.

Repurposing efavirenz, the HIV antiretroviral drug for Chikungunya virus infection.

This study identifies efavirenz's anti-CHIKV activity and shows it inhibits viral replication by targeting minus-sense RNA synthesis, suggesting its repurposing for antiviral therapy.

Disruption of molecular interactions between G3BP1 stress granule host protein and nucleocapsid (NTD-N) protein impedes SARS-CoV-2 virus replication

This study identifies a new molecular interaction between G3BP1 and SARS-CoV-2 N protein and shows small molecules disrupt this interaction, reducing viral replication.

Designing and bioengineering of CDRs with higher affinity against receptor-binding domain (RBD) of SARS-CoV-2 Omicron variant

This paper develops an in silico affinity maturation pipeline to enhance nanobody binding to the SARS-CoV-2 Omicron RBD, achieving three-fold improved affinity through computational and experimental validation.

Unveiling Mechanistic and Structural Insights of EstS1 Esterase: A Potent Broad-Spectrum Phthalate Diester Degrading Enzyme

This study characterizes the structural and mechanistic properties of EstS1 esterase, revealing its role in degrading phthalate diesters through a bi-bi ping-pong mechanism and covalent substrate binding.

Enhancing affinity of neutralizing SARS-CoV-2 nanobody through facile structure-guided mutations in CDRs

This study enhances the affinity of SARS-CoV-2 neutralizing nanobodies through structure-guided mutations in CDRs, resulting in improved neutralization activity against pseudovirus.

Viral methyltransferase inhibitors: berbamine, venetoclax, and ponatinib as efficacious antivirals against Chikungunya virus

This paper identifies three FDA-approved drugs as inhibitors of Chikungunya virus nsP1 methyltransferase, showing antiviral efficacy in cell-based assays.

Unraveling antiviral efficacy of multifunctional immunomodulatory triterpenoids against SARS-COV-2 targeting virus-specific enzymes

This study evaluates the antiviral and anti-inflammatory effects of triterpenoids against SARS-CoV-2 by targeting viral proteases and host immune pathways.

Revealing and evaluation of antivirals targeting multiple druggable sites of RdRp complex in SARS-CoV-2

This study identifies antivirals targeting multiple sites of SARS-CoV-2 RdRp complex through in-silico screening, SPR validation, and cell-based assays, showing potent antiviral effects.

Chimeric chikungunya virus-like particles with surface exposed SARS-CoV-2 RBD elicits potent immunogenic responses in mice.

This study develops a bivalent chimeric virus-like particle vaccine displaying CHIKV and SARS-CoV-2 RBD antigens, showing potent immunogenicity in mice.

Activity profiling of deubiquitinating inhibitors-bound to SARS-CoV-2 papain like protease with antiviral efficacy in murine infection model

This study identifies DUB inhibitors that target SARS-CoV-2 PLpro, inhibiting its proteolytic activity and restoring immune responses in a mouse model.

Mechanistic and thermodynamic characterization of antivirals targeting druggable pocket of SARS-CoV-2 nucleocapsid

This study identifies antivirals targeting the NTD of SARS-CoV-2 N protein using structure-based drug repurposing and shows their effectiveness in inhibiting viral replication.