Purification and characterization of antibacterial surfactin isoforms produced by Bacillus velezensis SK von Barale, Sagar S., Ghane, Savaliram G., Sonawane, Kailas D.

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Structural insights into the potential binding sites of Cathepsin D using molecular modelling techniques von Kamble, Subodh A, Barale, Sagar S, Mohammed, Ali Abdulmawjood, Paymal, Sneha B, Naik, Nitin M, Sonawane, Kailas D

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Molecular Insights into Destabilization of Alzheimer’s Aβ Protofibril by Arginine Containing Short Peptides: A Molecular Modeling Approach von Barale, Sagar S, Parulekar, Rishikesh S, Fandilolu, Prayagraj M, Dhanavade, Maruti J, Sonawane, Kailas D

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Structural insights and inhibition mechanism of TMPRSS2 by experimentally known inhibitors Camostat mesylate, Nafamostat and Bromhexine hydrochloride to control SARS-coronavirus-2:... von Sonawane, Kailas D., Barale, Sagar S., Dhanavade, Maruti J., Waghmare, Shailesh R., Nadaf, Naiem H., Kamble, Subodh A., Mohammed, Ali Abdulmawjood, Makandar, Asiya M., Fandilolu, Prayagraj M., Dound, Ambika S., Naik, Nitin M., More, Vikramsinh B.

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Interrogating the substrate specificity landscape of UvrC reveals novel insights into its non-canonical function von Thakur, Manoj, Parulekar, Rishikesh S., Barale, Sagar S., Sonawane, Kailas D., Muniyappa, Kalappa

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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 app... von Mohammed, Ali Abdulmawjood, Barale, Sagar S., Kamble, Subodh Ashok, Paymal, Sneha B., Sonawane, Kailas D.

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In vivo developmental studies of Helicoverpa armigera and in silico molecular interactions with trypsin reveal the bio-insecticidal potential of trypsin inhibitor (SSTI) isolated f... von Herwade, Abhijeet P., Barale, Sagar S., Sonawane, Kailas D., Pawar, Pankaj K.

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Structure based virtual screening, molecular dynamic simulation to identify the oxadiazole derivatives as inhibitors of Enterococcus D-Ala-D-Ser ligase for combating vancomycin res... von Paymal, Sneha B., Barale, Sagar S., Supanekar, Shirishkumar V., Sonawane, Kailas D.

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Antibiotic resistance and inhibition mechanism of novel aminoglycoside phosphotransferase APH(5) from B. subtilis subsp. subtilis strain RK von Parulekar, Rishikesh S., Barale, Sagar S., Sonawane, Kailas D.

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Exploring anticancer potential of nintedanib conjugated magnetic nanoparticles: In-vitro and in-silico studies von Dhavale, Rakesh P., Dhavale, Rushikesh P., Bhatia, Manish S., Jadhav, Sagar U., Dhanavade, Maruti J., Barale, Sagar S., Pathak, Sachin, Parale, Vinayak G., Sonawane, Kailas D.

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Structural insights into the potential binding sites of Cathepsin D using molecular modelling techniques: Structural insights into the potential binding sites of Cathepsin D von Kamble, Subodh A., Barale, Sagar S., Mohammed, Ali Abdulmawjood, Paymal, Sneha B., Naik, Nitin M., Sonawane, Kailas D.

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Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation von Kumbhar, Navanath, Nimal, Snehal, Barale, Sagar, Kamble, Subodh, Bavi, Rohit, Sonawane, Kailas, Gacche, Rajesh

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Structural significance of Neprylysin from Streptococcus suis GZ1 in the degradation of Aβ peptides, a causative agent in Alzheimer's disease von Kamble, Subodh, Barale, Sagar, Dhanavade, Maruti, Sonawane, Kailas

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Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines von Bansode, Prakash, Anantacharya, R., Dhanavade, Maruti, Kamble, Subodh, Barale, Sagar, Sonawane, Kailas, Satyanarayan, Nayak D., Rashinkar, Gajanan

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