Computational study on the molecular recognition in water using endo-functionalized molecular tubes and uses of these receptors as drug delivery vehicles

dc.contributor.authorPaul, Rabindranath
dc.date.accessioned2022-05-18T07:15:57Z
dc.date.accessioned2023-10-19T12:09:27Z
dc.date.available2022-05-18T07:15:57Z
dc.date.available2023-10-19T12:09:27Z
dc.date.issued2021
dc.descriptionSupervisor: Sandip Paulen_US
dc.description.abstractMy doctoral research focused on the molecular recognition in water using endo-functionalized molecular tube receptors and uses of these receptors as drug delivery vehicles. Host-guest coupling investigations indicate the driving factors behind complexation and offer insight into noncovalent interactions between the host and guest moiety. We have also analyzed the water thermodynamics using grid inhomogeneous solvation theory (GIST). This study also provides interaction between these receptors and different model lipid bilayers to find the possibility of using these receptors as drug delivery vehicles. The expertise accumulated leads to the design of therapeutic functional compounds, such as molecular reactors for catalysis, or the advancement of structure-based drug design and their delivery in medicinal chemistryen_US
dc.identifier.otherROLL NO.166122026
dc.identifier.urihttps://gyan.iitg.ac.in/handle/123456789/1987
dc.language.isoenen_US
dc.relation.ispartofseriesTH-2539;
dc.subjectCHEMISTRYen_US
dc.titleComputational study on the molecular recognition in water using endo-functionalized molecular tubes and uses of these receptors as drug delivery vehiclesen_US
dc.typeThesisen_US
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