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In Silico Design and Investigation of Novel Thiazetidine Derivatives as Potent Inhibitors of PrpR in Mycobacterium tuberculosis
Authors:Upala Dasmahapatra  Sreerama Rajasekhar  Grandhe Neelima  Barnali Maiti  Ramanathan Karuppasamy  Poornima Murali  Balamurali MM  Kaushik Chanda
Affiliation:1. Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore, Tamil Nadu, India, 632014;2. Department of Pharmaceutical Chemistry, Sri Venkateswara College of Pharmacy, Chittoor, Andhra Pradesh, India, 517127;3. Department of Biotechnology, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India, 632014;4. Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology, Chennai, Tamil Nadu, India, 600027
Abstract:
Keywords:Thiazetidine  pyridine  in-silico  molecular docking  molecular dynamics simulations  ADME  Machine learning
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