Interaction of 4-ethyl phenyl sulfate with bovine serum albumin: Experimental and molecular docking studies
4-ethyl phenyl sulfate (EPS), a protein-bound uremic toxin found in serum of patients
suffering from autism spectrum disorders (ASD) and chronic kidney disease (CKD). As per …
suffering from autism spectrum disorders (ASD) and chronic kidney disease (CKD). As per …
Interaction studies unveil potential binding sites on bovine serum albumin for gut metabolite trimethylamine n-oxide (TMAO)
Abstract Trimethylamine-N-oxide (TMAO) is gut microbiota-derived metabolite, plays a
critical role in human health and diseases such as metabolic, cardiovascular, colorectal …
critical role in human health and diseases such as metabolic, cardiovascular, colorectal …
In Silico Toxicity Assessment of Organophosphates: A DFT and Molecular Docking Study on Their Interaction with Human Serum Albumin (HSA)
T Singh, N Shankhwar, NR Sharma, A Kumar… - bioRxiv, 2024 - biorxiv.org
This study presents an in silico analysis of the toxicity of Organophosphates (OPs) through
their interaction with Human Serum Albumin (HSA) protein using density functional theory …
their interaction with Human Serum Albumin (HSA) protein using density functional theory …
In-silico toxicity analysis for interaction between Organophosphates and Acetyl cholinesterase through molecular level simulation
T Singh, AK Verma - 2024 - researchsquare.com
Organophosphates act as the chief constituents of pesticides and nerve agents, and their
toxicological effects have caused harm not just to our environment but to human beings as …
toxicological effects have caused harm not just to our environment but to human beings as …
Deciphering pH-Driven Dynamics of Prolyl Endopeptidases: Unveiling Structural insight in Celiac Disease using Computational Techniques
AK Verma, S Kumar, T Singh, A Mohan, NR Sharma… - 2025 - researchsquare.com
Celiac disease, an intricate autoimmune disorder, stems from gluten consumption, primarily
found in wheat, barley, and rye. Due to its high proline content, gluten resists complete …
found in wheat, barley, and rye. Due to its high proline content, gluten resists complete …
Unveiling BPDE Induced Carcinogenic Signaling: Computational Insights into NF-κB, MAPK, and PI3K/Akt Pathway Activation
KV Kathpalia, A Kumar, AK Verma - bioRxiv, 2025 - biorxiv.org
The Carcinogen benzo [a] pyran-7, 8 dihydrodiol 9, 10 epoxide (BaP-DNP) the active
metabolite of benzo [a] pyrene has been postulated to induce carcinogenesis through …
metabolite of benzo [a] pyrene has been postulated to induce carcinogenesis through …
Interaction studies of Gut metabolite; Trimethylene amine Oxide with Bovine Serum Albumin through Spectroscopic, DFT and Molecular Docking Approach
Abstract Trimethyleneamine N-oxide (TMAO); a gut microbiota derived metabolite has been
involved in human health and diseases. It is enhanced by insulin resistivity and linked with …
involved in human health and diseases. It is enhanced by insulin resistivity and linked with …
An integrated data analysis and computational approach to reveal gene signatures for paediatric Tuberculosis meningitis related to non-tuberculosis patients
AK Verma, T Singh - 2025 - researchsquare.com
The global disease burden remains greatly influenced by tuberculosis. Its most critical form,
Tuberculosis meningitis (TBM) affects both adults and children who face high rates of …
Tuberculosis meningitis (TBM) affects both adults and children who face high rates of …