G Divyashri*  , T P Krishna Murthy, Subramaniam Sundareshan, Pavan Kamath, Manikanta Murahari*, G R Saraswathy, Bindu Sadanandan
Novel inhibitors from Mango ginger were identified against five drug targets of H. pylori. In silico potential of Mango ginger compound, gentisic acid with the drug target, shikimate kinase was evaluated. Results were found promising without any limitations.
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Khalil EL Khatabi , Ilham Aanouz, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine*
Molecular docking was performed to explore the binding affinity of the 12 selected molecules in the target enzyme and then evaluated for in silico ADMET properties. The best hits were subjected to molecular dynamics simulation.
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Atena Sharifi-Rad , Zeinab Amiri-Tehranizadeh, Atiye Talebi, Niknaz Nosrati, Morvarid Medalian, Mahtab Pejhan, Nazanin Hamzkanloo, Mohammad Reza Saberi, Parisa Mokaberi, Jamshidkhan Chamani*
The MD simulation and spectroscopic studies of the interaction of ct-DNA and propyl acridone revealed that a transition from the extended nucleic double helix towards the denatured structure.
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Ali Rahmani , Rahim Jafari* , Samad Nadri*
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Original Article
Special issue | AI & Bioinformatics
Ekta Singh , Gurubasavaraja Swamy Purawarga Matada* , Prasad Sanjay Dhiwar , Rajesh B. Patil , Rohit Pal
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