Sagar S. Barale

Central University of Rajasthan — India

Computer Science · Physical Sciences

10h-index360citations21works1.42yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(8), Alzheimer's disease research and treatments(4), SARS-CoV-2 and COVID-19 Research(3), Cholinesterase and Neurodegenerative Diseases(3), Protein Structure and Dynamics(2)

Publications21 total

Polymyxin-B as a novel inhibitor of amyloid beta aggregation: Computational insights and experimental validation
Journal of Molecular Structure·2025· 1 cited
Overexpression, Purification, and Biochemical Characterization of the vanC2 <scp>d</scp>-Ala-<scp>d</scp>-Ser Ligase from <i>Enterococcus casseliflavus</i> SSK and Its Inhibition by an Oxadiazole Derivative
ACS Omega·2025Open Access
Structural insights into the potential binding sites of Cathepsin D using molecular modelling techniques
Amino Acids·2024· 6 citedOpen Access
Understanding the Anti-Inflammatory and Anti-Carcinogenic Insights of Terpenoid Compounds from Tinospora Cordifolia: A Molecular Docking Approach
SSRN Electronic Journal·2024Open Access
Anti-Biofilm Potential and Mechanistic Insight into Sortasea Inhibition by Secondary Metabolites of C. Longa Against Staphylococcus Aureus and Streptococcus Mutans
SSRN Electronic Journal·2024Open Access
Molecular insights into the inhibition of early stages of Aβ peptide aggregation and destabilization of Alzheimer's Aβ protofibril by dipeptide D-Trp-Aib: A molecular modelling approach
International Journal of Biological Macromolecules·2023· 15 cited
Structure based virtual screening, molecular dynamic simulation to identify the oxadiazole derivatives as inhibitors of Enterococcus D-Ala-D-Ser ligase for combating vancomycin resistance
Computers in Biology and Medicine·2023· 5 cited
Exploring anticancer potential of nintedanib conjugated magnetic nanoparticles: In-vitro and in-silico studies
Journal of Drug Delivery Science and Technology·2023· 4 cited
New targets for old drugs
Elsevier eBooks·2023· 1 cited
List of contributors
Elsevier eBooks·2023
In vivo developmental studies of Helicoverpa armigera and in silico molecular interactions with trypsin reveal the bio-insecticidal potential of trypsin inhibitor (SSTI) isolated from Solanum surattense
International Journal of Biological Macromolecules·2022· 5 cited
Interrogating the substrate specificity landscape of UvrC reveals novel insights into its non-canonical function
Biophysical Journal·2022· 6 citedOpen Access
Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation
Scientific Reports·2022· 35 citedOpen Access
Purification and characterization of antibacterial surfactin isoforms produced by Bacillus velezensis SK
AMB Express·2022· 90 citedOpen Access
Structural significance of Neprylysin from Streptococcus suis GZ1 in the degradation of Aβ peptides, a causative agent in Alzheimer's disease
Computers in Biology and Medicine·2021· 11 cited
Structural insights and inhibition mechanism of TMPRSS2 by experimentally known inhibitors Camostat mesylate, Nafamostat and Bromhexine hydrochloride to control SARS-coronavirus-2: A molecular modeling approach
Informatics in Medicine Unlocked·2021· 48 citedOpen Access
Homology Modeling and Docking Studies of TMPRSS2 with Experimentally Known Inhibitors Camostat Mesylate, Nafamostat and Bromhexine Hydrochloride to Control SARS-Coronavirus-2
2020· 19 citedOpen Access
Homology Modeling and Docking Studies of TMPRSS2 with Experimentally Known Inhibitors Camostat Mesylate, Nafamostat and Bromhexine Hydrochloride to Control SARS-Coronavirus-2
2020· 30 citedOpen Access
Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines
Computational Biology and Chemistry·2019· 15 cited
Antibiotic resistance and inhibition mechanism of novel aminoglycoside phosphotransferase APH(5) from B. subtilis subsp. subtilis strain RK
Brazilian Journal of Microbiology·2019· 14 citedOpen Access
page 1 of 2Next →

Frequent Co-authors

Kailas D. Sonawane(15), Maruti J. Dhanavade(7), Subodh A. Kamble(7), Ali Abdulmawjood Mohammed(6), Prayagraj M. Fandilolu(4), Nitin M. Naik(4), Sneha B. Paymal(4), Rishikesh S. Parulekar(3), Shailesh R. Waghmare(3), Naiem H. Nadaf(3), Asiya M. Makandar(3), Ambika S. Dound(3), Navanath Kumbhar(3), Rajesh N. Gacche(3), Shirishkumar V. Supanekar(2), Kailas D. Sonawane(2), M.A. Aparna(2), Snehal K. Nimal(2), Pallavi Shewale(2), Savaliram G. Ghane(1)