Papers by Vinita Chaturvedi
Bioorganic & Medicinal Chemistry, 2002
A series of acyclic deoxy carbohydrate derivatives from easily available carbohydrate enals 1, 2,... more A series of acyclic deoxy carbohydrate derivatives from easily available carbohydrate enals 1, 2, 3 or 5 were prepared involving the Baylis-Hillman reaction. These newly formed carbohydrate based Baylis-Hillman adducts and their amino derivatives were evaluated for their antimycobacterial activity against Mycobacterium tuberculosis H(37)R(v). Among the compounds evaluated for their antimycobacterial activity, compound (10) showed the desired activity in the range of 3.125 microg/mL.
Bookmarks Related papers MentionsView impact
Journal of Chemical Information and Modeling, 2009
In view of the worldwide spread of multidrug resistance of Mycobacterium tuberculosis, there is a... more In view of the worldwide spread of multidrug resistance of Mycobacterium tuberculosis, there is an urgent need to discover antitubercular agents with novel structures. Thymidine monophosphate kinase from M. tuberculosis (TMPKmt) is an attractive target for antitubercular chemotherapy. We report here the identification of potent antitubercular compounds targeting TMPKmt using virtual screening methods. For this purpose we have developed a pharmacophore hypothesis based on the substrate and known TMPKmt inhibitors and employed it to screen the Maybridge small molecule database. The molecular docking was then performed in order to select the compounds on the basis of their ability to form favorable interactions with the TMPKmt active site. In addition, we applied straightforward weighting using structure interaction fingerprints to include additional knowledge into structure based virtual screening. Eight compounds were acquired and evaluated for antitubercular activity against M. tuberculosis H37Rv in vitro, and out of these 3 compounds showed MIC of 3.12 microg/mL whereas 2 compounds showed MIC of 12.5 microg/mL. All the active compounds were found to be nontoxic in Vero cell lines and mice bone marrow macrophages. All the identified hits highlighted a key hydrogen bonding interaction with Arg74. The observed pi-stacking interaction with Phe70 was also produced by the identified hits. These hits represent promising starting points for structural optimization in hit-to-lead development.
Bookmarks Related papers MentionsView impact
Fems Immunology and Medical Microbiology, 2002
Bookmarks Related papers MentionsView impact
Cheminform, 2009
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry, 2003
[5-(pyridin-2-yl)-1,3,4-thiadiazol-2-ylthio]acetic acid (3,4-diaryl-3H-thiazol-2-ylidene)-hydrazi... more [5-(pyridin-2-yl)-1,3,4-thiadiazol-2-ylthio]acetic acid (3,4-diaryl-3H-thiazol-2-ylidene)-hydrazide derivatives were synthesized and tested for their in vitro antimycobacterial activity. Some compounds showed an interesting activity against a strain of Mycobacterium tuberculosis H(37)Rv and three clinical isolates of M. tuberculosis.
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry Letters, 2010
Bookmarks Related papers MentionsView impact
Journal of Combinatorial Chemistry, 2009
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry
Bookmarks Related papers MentionsView impact
European Journal of Medicinal Chemistry, 2009
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry, 2006
Bookmarks Related papers MentionsView impact
Cheminform, 2009
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Bookmarks Related papers MentionsView impact
European Journal of Medicinal Chemistry, 2010
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry Letters, 2008
Bookmarks Related papers MentionsView impact
Transactions of The Royal Society of Tropical Medicine and Hygiene, 2007
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry, 2005
Bookmarks Related papers MentionsView impact
Bioorganic & Medicinal Chemistry Letters, 2011
An economical and efficient one step synthesis of a series of 8-(arylidene)-4-(aryl)-5,6,7,8-tetr... more An economical and efficient one step synthesis of a series of 8-(arylidene)-4-(aryl)-5,6,7,8-tetrahydro-quinazolin-2-ylamines and 9-(arylidene)-4-(aryl)-6,7,8,9-tetrahydro-5H-cycloheptapyrimidin-2-ylamines by the reaction of bis-benzylidene cycloalkanones and guanidine hydrochloride in presence of NaH has been developed. All the synthesized compounds were evaluated against Mycobacterium tuberculosis H(37)Rv strain and the α-glucosidase and glycogen phosphorylase enzymes. Few of the compounds have shown interesting in vitro activity with MIC up to 3.12 μg/mL against M. tuberculosis and very good inhibition of α-glucosidase and glycogen phosphorylase enzymes. The most potent non toxic compound 40 exhibited about 58% ex vivo activity at MIC of 3.12 μg/mL. The present study opens a new gate to synthesize antitubercular agents for diabetic TB patients. In silico docking studies indicate that mycobacterial dihydrofolate reductase is the possible target of these compounds.
Bookmarks Related papers MentionsView impact
European Journal of Medicinal Chemistry, 2009
Bookmarks Related papers MentionsView impact
European Journal of Medicinal Chemistry, 2010
Bookmarks Related papers MentionsView impact
European Journal of Medicinal Chemistry, 2007
Bookmarks Related papers MentionsView impact
Journal of Medicinal Chemistry, 2007
Bookmarks Related papers MentionsView impact
Uploads
Papers by Vinita Chaturvedi