Sakshi Piplani
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View article: Structure–Activity Relationships toward the Identification of a High-Potency Selective Human Toll-like Receptor-7 Agonist
Structure–Activity Relationships toward the Identification of a High-Potency Selective Human Toll-like Receptor-7 Agonist Open
Toll-like receptor (TLR)-7 agonists are immunostimulatory vaccine adjuvants. A systematic structure-activity relationship (SAR) study of TLR7-active 1-benzyl-2-butyl-1H-imidazo[4,5-c]quinolin-4-amine led to the identification…
View article: Structure−Activity Relationships Towards the Identification of High-Potency Selective Human Toll-Like Receptor-7 Agonist
Structure−Activity Relationships Towards the Identification of High-Potency Selective Human Toll-Like Receptor-7 Agonist Open
Toll-like receptors (TLRs) act as the “sentinel” of the immune system to link innate immune responses with adaptive immunity. TLR7 agonists are highly immunostimulatory and can be exploited as powerful vaccine adjuvants. A structure-activi…
View article: Identifying SARS-CoV-2 Drugs Binding to the Spike Fatty Acid Binding Pocket Using In Silico Docking and Molecular Dynamics
Identifying SARS-CoV-2 Drugs Binding to the Spike Fatty Acid Binding Pocket Using In Silico Docking and Molecular Dynamics Open
Drugs against novel targets are needed to treat COVID-19 patients, especially as SARS-CoV-2 is capable of rapid mutation. Structure-based de novo drug design and repurposing of drugs and natural products is a rational approach to discoveri…
View article: Potential COVID-19 Therapies from Computational Repurposing of Drugs and Natural Products against the SARS-CoV-2 Helicase
Potential COVID-19 Therapies from Computational Repurposing of Drugs and Natural Products against the SARS-CoV-2 Helicase Open
Repurposing of existing drugs is a rapid way to find potential new treatments for SARS-CoV-2. Here, we applied a virtual screening approach using Autodock Vina and molecular dynamic simulation in tandem to screen and calculate binding ener…
View article: Computational Repurposing of Drugs and Natural Products Against SARS-CoV-2 Main Protease (Mpro) as Potential COVID-19 Therapies
Computational Repurposing of Drugs and Natural Products Against SARS-CoV-2 Main Protease (Mpro) as Potential COVID-19 Therapies Open
We urgently need to identify drugs to treat patients suffering from COVID-19 infection. Drugs rarely act at single molecular targets. Off-target effects are responsible for undesirable side effects and beneficial synergy between targets fo…
View article: Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase
Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase Open
Repurposing of existing drugs is a rapid way to find potential new treatments for SARS-CoV-2. Here we applied a virtual screening approach using Autodock Vina and molecular dynamic simulation in tandem to screen and calculate binding energ…
View article: Stereoisomeric Pam<sub>2</sub>CS based TLR2 agonists: synthesis, structural modelling and activity as vaccine adjuvants
Stereoisomeric Pam<sub>2</sub>CS based TLR2 agonists: synthesis, structural modelling and activity as vaccine adjuvants Open
Lipopeptides including diacylated Pam 2 CSK 4 as well as triacylated Pam 3 CSK 4 act as ligands of toll-like receptor (TLR)-2, a promising target for the development of vaccine adjuvants.
View article: Predicting Diagnostic Potential of Cathepsin in Epithelial Ovarian Cancer: A Design Validated by Computational, Biophysical and Electrochemical Data
Predicting Diagnostic Potential of Cathepsin in Epithelial Ovarian Cancer: A Design Validated by Computational, Biophysical and Electrochemical Data Open
Background: Epithelial ovarian cancer remains one of the leading variants of gynecological cancer with a high mortality rate. Feasibility and technical competence for screening and detection of epithelial ovarian cancer remain a major obst…
View article: Rapid Development of Analytical Methods for Evaluating Pandemic Vaccines: A Covid-19 Perspective
Rapid Development of Analytical Methods for Evaluating Pandemic Vaccines: A Covid-19 Perspective Open
Vaccines are key in charting a path out of the COVID-19 pandemic. However, development of new vaccines is highly dependent on availability of analytical methods for their design and evaluation. This paper highlights the challenges presente…
View article: Computationally repurposed drugs and natural products against RNA dependent RNA polymerase as potential COVID-19 therapies
Computationally repurposed drugs and natural products against RNA dependent RNA polymerase as potential COVID-19 therapies Open
View article: Author Correction: In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
Author Correction: In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin Open
View article: Deep Meta Tool: GUI tool to obtain Mean and Standard Deviation (SD) from Median and Interquartile range (IQR)
Deep Meta Tool: GUI tool to obtain Mean and Standard Deviation (SD) from Median and Interquartile range (IQR) Open
Background and objectivesMeta-analysis is a statistical procedure which enables the researcher to integrate the results of various studies that were conducted for the same purpose. However, more often than not, researchers find themselves …
View article: Immunisation of ferrets and mice with recombinant SARS-CoV-2 spike protein formulated with Advax-SM adjuvant protects against COVID-19 infection
Immunisation of ferrets and mice with recombinant SARS-CoV-2 spike protein formulated with Advax-SM adjuvant protects against COVID-19 infection Open
View article: Immunisation of ferrets and mice with recombinant SARS-CoV-2 spike protein formulated with Advax-SM adjuvant protects against COVID-19 infection
Immunisation of ferrets and mice with recombinant SARS-CoV-2 spike protein formulated with Advax-SM adjuvant protects against COVID-19 infection Open
The development of a safe and effective vaccine is a key requirement to overcoming the COVID-19 pandemic. Recombinant proteins represent the most reliable and safe vaccine approach but generally require a suitable adjuvant for robust and d…
View article: In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin Open
The devastating impact of the COVID-19 pandemic caused by SARS–coronavirus 2 (SARS-CoV-2) has raised important questions about its origins and the mechanism of its transfer to humans. A further question was whether companion or commercial …
View article: Toll-like receptor-7/8 agonist kill <i>Leishmania amazonensis</i> by acting as pro-oxidant and pro-inflammatory agent
Toll-like receptor-7/8 agonist kill <i>Leishmania amazonensis</i> by acting as pro-oxidant and pro-inflammatory agent Open
Objectives Evaluation of the anti-Leishmanial activity of imidazoquinoline-based TLR7/8 agonists. Methods TLR7/8-active imidazoquinolines (2 and 3) were synthesized and assessed for activity against Leishmania amazonensis-intracellular ama…
View article: TLR2 Agonistic Small Molecules: Detailed Structure–Activity Relationship, Applications, and Future Prospects
TLR2 Agonistic Small Molecules: Detailed Structure–Activity Relationship, Applications, and Future Prospects Open
Toll-like receptors (TLRs) are the pattern recognition receptors (PRRs) that recognize pathogen-associated molecular patterns (PAMPs) in microbial species. Among the various TLRs, TLR2 has a special place due to its ability to sense the wi…
View article: In silico comparison of spike protein-ACE2 binding affinities across species; significance for the possible origin of the SARS-CoV-2 virus
In silico comparison of spike protein-ACE2 binding affinities across species; significance for the possible origin of the SARS-CoV-2 virus Open
Important: e-prints posted on arXiv are not peer-reviewed by arXiv; they should not be relied upon without context to guide clinical practice or health-related behavior and should not be reported in news media as established information wi…
View article: Computational screening of repurposed drugs and natural products against SARS-Cov-2 main protease (Mpro) as potential COVID-19 therapies
Computational screening of repurposed drugs and natural products against SARS-Cov-2 main protease (Mpro) as potential COVID-19 therapies Open
There remains an urgent need to identify existing drugs that might be suitable for treating patients suffering from COVID-19 infection. Drugs rarely act at a single molecular target, with off target effects often being responsible for unde…
View article: BBIQ, a pure TLR7 agonist, is an effective influenza vaccine adjuvant
BBIQ, a pure TLR7 agonist, is an effective influenza vaccine adjuvant Open
Better adjuvants are needed for vaccines against seasonal influenza. TLR7 agonists are potent activators of innate immune responses and thereby may be promising adjuvants. Among the imidazoquinoline compounds, 1-benzyl-2-butyl-1H-imidazo[4…