These are the abstracts indexed with my name in the Proceedings of the National Symposium on Evolving Paradigm to Improve Productivity from Dynamic Management and Value Addition for Plant Genetic Resources.
Code: IO- 2 Emergence of Indian Tomato Yellow Leaf Curl Viral (TYLCV) Disease: Insights from Evolutionary Divergence and Molecular Prospects of Coat Protein S. Prasanth Kumar1, Ravi G. Kapopara1, Saumya K. Patel1, Yogesh T. Jasrai*, Himanshu A. Pandya1 and Rakesh M. Rawal21 Bioinformatics Laboratory, Department of Botany, University School of Sciences,Gujarat University, Ahmedabad- 380 009.2 Division of Medicinal Chemistry and Pharmacogenomics, Department of Cancer Biology,The Gujarat Cancer & Research Institute (GCRI), Ahmedabad- 380 016.*Correspondence: email@example.comABSTRACTTomato leaf curl disease (TLCD) is manifested by yellowing of leaf lamina with upward leaf curl, leaf distortion,shrinking of the leaf surface and stunted plant growth caused by tomato yellow leaf curl virus (TYLCV). In thepresent study, we explored the evolutionary and molecular prospects of viral coat protein derived from an isolate ofVadodara district, Gujarat (ToLCGV-[Vad]). We found that the amino acids in coat protein required for systemicinfection, viral particle formation and insect transmission to host cells were sufficiently diverged. Modeling of coatprotein revealed a topology similar to characteristic Geminate viral particle consisting of antiparallel β-barrel motifwith N-terminus α-helix. The molecular interaction of coat protein with the plant DNA required for host cell arrestand propagation of viral particle was studied. We further emphasized the role of loops in coat protein structure asmolecular recognition interface.Keywords: Tomato leaf curl disease, Tomato yellow leaf curl virus, Geminate viral particle, Evolution, Modeling. 158
Code: IO-6 Management of Diabetes by Developing New Alpha Glucosidase Inhibitors (AGIs) Ravi G. Kapopara*1 S. Prasanth Kumar1, Yogesh T. Jasrai1, Himanshu A. Pandya1 and Rakesh M. Rawal21 Bioinformatics Laboratory, Department of Botany, University School of Sciences, Gujarat University,Ahmedabad- 380 009.2 Division of Medicinal Chemistry and Pharmacogenomics, Department of Cancer Biology, The GujaratCancer & Research Institute (GCRI), Ahmedabad- 380 016.*Correspondence: firstname.lastname@example.orgABSTRACTThe most challenging goal in the management of diabetic patient is to achieve normal blood glucose levelscaused by post-prandial hyperglycemia (PPHG) or hyperinsulinemia, the individual risk factor contributes tothe development of macrovascular complications. Synthetic hypoglycemic agents are available which has itsown limitations and serious side-effects. The present study deals about the development of a common smallmolecular structure by enhancing the molecular descriptors required for binding with α-glucosidase and α-amylase enzymes, the two major targets of PPHG and to develop a monosaccharide-type inhibitor with manyinsights derived from pharmacophore studies, molecular alignment and molecular docking studies of knowninhibitors. A hypothesis was designed which suggest the essential and/or minimal requirement of moleculardescriptors to be an efficient binder of these two hydrolytic enzymes and subsequently, molecules withnaturally occurring flavonoid structural architecture obeying the hypothesis was developed and evaluated insilico.Keywords: Post-prandial hyperglycemia, Molecular descriptors, α-glucosidase, α-amylase, Pharmacophorefeatures, Molecular docking, Hypothesis design. 162
Code: IP-3 Plant Bioactive Driven Fragment-based Drug Designing and Epitope-based Immunoinformatics Study of EspC protein of Mycobacterium tuberculosis Saumya K. Patel1*, S. Prasanth Kumar1, Ravi G. Kapopara1, Yogesh T. Jasrai1 and Himanshu A. Pandya1 1 Bioinformatics Laboratory, Department of Botany, University School of Sciences, Gujarat University, Ahmedabad- 380 009*Correspondence: email@example.comABSTRACTMulti-drug resistant Mycobacterium tuberculosis is one of the major obstacles for the treatment of tuberculosis.ESX-1 secretion system establishes infection in host cells by secreting virulence factors. Genes belonging to thissystem are attenuated in currently used BCG vaccine strain and are no longer proven efficacy in treatingtuberculosis. In the present study, vasicine, a plant bioactive from Vasaka herb having known antitubercularproperties is used to develop inhibitors against a chief component of the ESX-1 secretory pathway, called EspCthrough fragment-based drug designing approach. Epitope-based immunoinformatics study of EspC protein isalso carried out which showed regions of interest for developing vaccines with due consideration across all thegenetically heterogeneous inheritance. It is found that designing T-cell epitopes against the C-terminal region ofEspC protein will have greater benefits as compared to other regions as it acts as a recognition element for itscognate AAA ATPases and protein interaction. Hence, designing inhibitors based on plant bioactive with knownactivity will direct to the generation of potential antitubercular lead molecules. In the other hand, the in vitroexpression studies of EspC in individuals with heterogeneous genetic inheritance will helpful in choosing a betterregion for developing vaccine without any harm to the human.Key-words: ESX-1 secretion system, Vasaka herb, fragment-based drug designing, immunoinformatics 166
Code: IP-4 2D-QSAR Analysis of ACE Inhibitors with Activity in Oryctolagus cuniculus and Rattus norvegicus Mehul I. Patni1, S. Prasanth Kumar1, Saumya K. Patel1, Yogesh T. Jasrai*1 and Himanshu A. Pandya1 1 Bioinformatics Laboratory, Department of Botany, University School of Sciences, Gujarat University, Ahmedabad- 380 009*Correspondence: firstname.lastname@example.orgABSTRACTQuinapril, an inhibitor of angiotensin-converting enzyme (ACE), is a known drug prescribed in the treatment ofhypertension and congestive heart failure. Due to its side effect such as angioedema, the patient has todiscontinue the chemotherapy. In the present study, ACE inhibitors which are structurally similar to Quinapriland had reported biological activity in model organisms such as Oryctolagus Cuniculus and Rattus norvegicuswas considered. A 2D-QSAR was modeled based on certain topological and constitutional descriptors along withits biological activity and found best inhibitory molecules. in vitro validation of these inhibitors will be analternative for effective drug development against hypertension.Keywords: Quinapril, ACE inhibitors, hypertension, 2D-QSAR, Descriptors 167
Code: JP-5 Bioinformatics analysis on Maize sugary 1 gene Vishal H. Desai, Chirag N. Patel, Vijay P. Mehta, S. Prasanth Kumar, Yogesh T. Jasrai and Himanshu A. Pandya Bioinformatics Laboratory, Department of Botany, Gujarat University, Ahmedabad-380 009.ABSTRACTMaize (Zea mays Linn.) holds a unique position in the global agricultural ground due to its high carbohydratecontent. Maize sugary 1 (su1) gene encodes an essential starch debranching enzyme (SBEIIb) which hydrolysis α-(1→6) glycosidic bonds involved in starch biosynthesis. Genetic mutations in this gene contributes for theshrunken and immature kernel phenotypically and accumulation of simple sugars genotypically. In the presentstudy, su1 gene was analyzed using Bioinformatics approaches. We made attempts to search for homologs in othersugar-rich plants. The maize su1 gene was predicted to be the characteristic feature promoting starch content andno evolutionary trace was identified. Further, maize cultivars distributed throughout the world showed a conservedpattern. We also noticed that the contents of GC bases are found to be relatively higher showing signs of highly de-regularized gene structure (CpG island). Conceptual translation of gene sequence provided an insight of orderedstructure with a single stretch of disorderness at its N-terminal. Thus, we emphasize that the de-regularized genestructure of su1 makes its own way to diverge from other plant genera and the protein (enzyme) secondarystructure level information showed that it is dense with high helix- rich content and a member of isoamylaseenzyme family.Keywords: Sugary 1 gene, Starch debranching enzyme, Bioinformatics, GC content, Disorderness. 173