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.

1. 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. Rawal2
1
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: yjasrai@yahoo.com
ABSTRACT
Tomato 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 the
present study, we explored the evolutionary and molecular prospects of viral coat protein derived from an isolate of
Vadodara district, Gujarat (ToLCGV-[Vad]). We found that the amino acids in coat protein required for systemic
infection, viral particle formation and insect transmission to host cells were sufficiently diverged. Modeling of coat
protein revealed a topology similar to characteristic Geminate viral particle consisting of antiparallel β-barrel motif
with N-terminus α-helix. The molecular interaction of coat protein with the plant DNA required for host cell arrest
and propagation of viral particle was studied. We further emphasized the role of loops in coat protein structure as
molecular recognition interface.
Keywords: Tomato leaf curl disease, Tomato yellow leaf curl virus, Geminate viral particle, Evolution, Modeling.
158

2. 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. Rawal2
1
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: ravi.kapopara@gmail.com
ABSTRACT
The most challenging goal in the management of diabetic patient is to achieve normal blood glucose levels
caused by post-prandial hyperglycemia (PPHG) or hyperinsulinemia, the individual risk factor contributes to
the development of macrovascular complications. Synthetic hypoglycemic agents are available which has its
own limitations and serious side-effects. The present study deals about the development of a common small
molecular 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 many
insights derived from pharmacophore studies, molecular alignment and molecular docking studies of known
inhibitors. A hypothesis was designed which suggest the essential and/or minimal requirement of molecular
descriptors to be an efficient binder of these two hydrolytic enzymes and subsequently, molecules with
naturally occurring flavonoid structural architecture obeying the hypothesis was developed and evaluated in
silico.
Keywords: Post-prandial hyperglycemia, Molecular descriptors, α-glucosidase, α-amylase, Pharmacophore
features, Molecular docking, Hypothesis design.
162

3. 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: saumya50@yahoo.co.in
ABSTRACT
Multi-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 this
system are attenuated in currently used BCG vaccine strain and are no longer proven efficacy in treating
tuberculosis. In the present study, vasicine, a plant bioactive from Vasaka herb having known antitubercular
properties is used to develop inhibitors against a chief component of the ESX-1 secretory pathway, called EspC
through fragment-based drug designing approach. Epitope-based immunoinformatics study of EspC protein is
also carried out which showed regions of interest for developing vaccines with due consideration across all the
genetically heterogeneous inheritance. It is found that designing T-cell epitopes against the C-terminal region of
EspC protein will have greater benefits as compared to other regions as it acts as a recognition element for its
cognate AAA ATPases and protein interaction. Hence, designing inhibitors based on plant bioactive with known
activity will direct to the generation of potential antitubercular lead molecules. In the other hand, the in vitro
expression studies of EspC in individuals with heterogeneous genetic inheritance will helpful in choosing a better
region for developing vaccine without any harm to the human.
Key-words: ESX-1 secretion system, Vasaka herb, fragment-based drug designing, immunoinformatics
166

4. 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: yjasrai@yahoo.com
ABSTRACT
Quinapril, an inhibitor of angiotensin-converting enzyme (ACE), is a known drug prescribed in the treatment of
hypertension and congestive heart failure. Due to its side effect such as angioedema, the patient has to
discontinue the chemotherapy. In the present study, ACE inhibitors which are structurally similar to Quinapril
and had reported biological activity in model organisms such as Oryctolagus Cuniculus and Rattus norvegicus
was considered. A 2D-QSAR was modeled based on certain topological and constitutional descriptors along with
its biological activity and found best inhibitory molecules. in vitro validation of these inhibitors will be an
alternative for effective drug development against hypertension.
Keywords: Quinapril, ACE inhibitors, hypertension, 2D-QSAR, Descriptors
167

5. 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.
ABSTRACT
Maize (Zea mays Linn.) holds a unique position in the global agricultural ground due to its high carbohydrate
content. 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 the
shrunken and immature kernel phenotypically and accumulation of simple sugars genotypically. In the present
study, su1 gene was analyzed using Bioinformatics approaches. We made attempts to search for homologs in other
sugar-rich plants. The maize su1 gene was predicted to be the characteristic feature promoting starch content and
no evolutionary trace was identified. Further, maize cultivars distributed throughout the world showed a conserved
pattern. 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 ordered
structure with a single stretch of disorderness at its N-terminal. Thus, we emphasize that the de-regularized gene
structure of su1 makes its own way to diverge from other plant genera and the protein (enzyme) secondary
structure level information showed that it is dense with high helix- rich content and a member of isoamylase
enzyme family.
Keywords: Sugary 1 gene, Starch debranching enzyme, Bioinformatics, GC content, Disorderness.
173