Shruti Koulgi

Innovation Park, Panchawati, Pashan
Pune, MH 411008, India

Last Updated: 09/26/2026

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Found 17 publications

Phytochemical profiling and mechanistic insights into the anxiolytic potential of Sphaeranthus indicus Linn.: A network pharmacology, molecular docking and simulation approach.

Phytochemical profiling and mechanistic insights into the anxiolytic potential of Sphaeranthus indicus Linn.: A network pharmacology, molecular docking and simulation approach.

Journal: Computational biology and chemistry

Published: May 02, 2026

Unique Microswitches Positioned Extracellular to the Orthosteric Binding Site Initiate Activation in the β1-Adrenergic Receptor.

Unique Microswitches Positioned Extracellular to the Orthosteric Binding Site Initiate Activation in the β1-Adrenergic Receptor.

Journal: Journal of chemical information and modeling

Published: March 27, 2026

Evaluating therapeutic potential of AYUSH-64 constituents against omicron variant of SARS-CoV-2 using ensemble docking and simulations.

Evaluating therapeutic potential of AYUSH-64 constituents against omicron variant of SARS-CoV-2 using ensemble docking and simulations.

Journal: Current research in structural biology

Published: March 28, 2024

Early Events in β2AR Dimer Dynamics Mediated by Activation-Related Microswitches.

Early Events in β2AR Dimer Dynamics Mediated by Activation-Related Microswitches.

Journal: The Journal of membrane biology

Published: December 28, 2023

In-silico evaluation of Oroxylum indicum vent compounds in the plausible treatment and prevention of nasopharyngeal cancer.

In-silico evaluation of Oroxylum indicum vent compounds in the plausible treatment and prevention of nasopharyngeal cancer.

Journal: Journal of Ayurveda and integrative medicine

Published: September 12, 2023

Studying early structural changes in SOS1 mediated KRAS activation mechanism.

Studying early structural changes in SOS1 mediated KRAS activation mechanism.

Journal: Current research in structural biology

Published: August 17, 2023

Markov State Modeling Analysis Captures Changes in the Temperature-Sensitive N-Terminal and β-Turn Regions of the p53 DNA-Binding Domain.

Markov State Modeling Analysis Captures Changes in the Temperature-Sensitive N-Terminal and β-Turn Regions of the p53 DNA-Binding Domain.

Journal: Journal of chemical information and modeling

Published: May 26, 2022

Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2.

Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2.

Journal: Journal of biomolecular structure & dynamics

Published: March 08, 2021

Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations.

Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations.

Journal: Journal of biomolecular structure & dynamics

Published: March 05, 2021

Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity.

Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity.

Journal: Journal of biomolecular structure & dynamics

Published: January 26, 2021

An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2-Spike complex of SARS-CoV-2 using computational methods.

An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2-Spike complex of SARS-CoV-2 using computational methods.

Journal: Chemicke zvesti

Published: January 03, 2021

Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2.

Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2.

Journal: PloS one

Published: December 04, 2020

Showing 1-12 of 17

Last Updated: 09/26/2026