Dr. Vibha Gupta

BIOGRAPHY

Vibha Gupta, joined Department of Biotechnology, Jaypee Institute of Information Technology as an Assistant Professor in June 2011. She has extensive research experience obtained by working in reputed organizations abroad as well as in India. Prior to joining JIIT, she was at University of Delhi South Campus where she determined 3D structures of novel candidate targets from Mycobacterium tuberculosis by X-ray crystallography method. Vibha’s doctoral dissertation was conducted under the joint direction of Dr. Dinakar M. Salunke at National Institute of Immunology, New Delhi and Dr. Lode Wyns at Vrije Universiteit Brussel, Belgium. It focused on investigating the structure of Ribonuclease A from rat pancreases using X-ray crystallography, molecular biology and computational approaches.

Vibha is a structural biologist with expertise in the field of macromolecular X-ray crystallography and interdisciplinary areas of protein chemistry, biochemistry, molecular biology, biophysics and bioinformatics. She is dedicated to facilitate and proliferate research that enhances understanding of biomacromolecules. Her research interest involves deciphering the structure-function of a biological molecule in a cell with a broader intent of understanding how a cell functions as a living unit, respond to external cues, communicate with other cells, and contribute to the virulence processes in pathogenic systems. She has initiated research efforts for early-stage rational drug discovery for a novel antimicrobial agent(s) with the help of DBT and ICMR funding whereinstructure-function information of a drug target from pathogenic organisms will enable the possibility of rational structure-based design and development of pathogen-specific drug molecule.

Vibha has publications in high impact international journals and has attended several national and International conferences. She was a recipient of European Economic Community (EEC) fellowship during her Masters studies in Molecular Biology at Vrije Universiteit Brussel, Belgium

RESEARCH HIGHLIGHTS

Due to emergence of antimicrobial resistance in all the major groups of pathogens there is an urgent need for new antibacterial compounds. Novel therapeutic agents can be developed by identifying and understanding essential metabolic pathways and drug targets that are involved in the pathogen’s virulence. My research interest involves deciphering the structure-function of novel drug targets from human pathogens responsible for infecting respiratory and/or gastrointestinal tract and understanding how the target contributes to the virulence processes of the pathogen. Research techniques employed to unravel the molecular structure and functional mechanism of a target protein of interest are recombinant DNA technology, protein purification, X-ray crystallography, biochemistry, binding affinity studies, bioinformatics tools including molecular dynamic simulations.

Our current focus is on following potential drug targets:

Cysteine biosynthetic pathway- Cysteine represents a metabolic entrance for reduced sulphur that is required for biosynthesis of methionine, several vitamins, and metal clusters. De novo biosynthesis of L-cysteine in bacteria involves - Serine acetyl transferase (SAT) also known as CysE that catalyzes the production of O-acetyl-L-serine (OAS) from acetyl-CoA and L-serine. OAS is then converted to L-cysteine by the enzyme O-acetylserine sulfhydrylase (OASS) also denoted CysK. The enzymes of this pathway are shown to be crucial for survival of persistent M. tuberculosis, E. histolytica, H. Influenzae, etc. and are absent in Homo sapiens. Therefore, this pathway isworth exploring for developing new antimicrobial compounds. We have performed the structural and kinetic analysis of two previously uncharacterized CysE from pathogenic bacteria – Klebsiella pneumonia (Kpn) and Shigella flexneri (Sfl). Crystal Structure of KpnCysE has been determined up to 3 Å and a promising natural product inhibitor that inhibits KpnCysE, SflCysE and E. coli CysE better than physiological feedback inhibitor cysteine, has been identified and may form a basis for drug discovery and therapeutic development.

Isocitrate lyases (ICL1/ICL2) involved in Glyoxylate and methylcitrate cycles: Essential targets for persistence of Mycobacterium tuberculosis in its host – Enzymes of these two cycles plays an important role in metabolism of even and odd chain fatty acids via β-oxidation. Therefore, utilization of these fatty acids as carbon source allows M. tuberculosis (Mtb) to survive under nutrient deprived conditions in the host cell and hence helps in its persistence. More than one ICL is present in the genomic DNA of Mtb and while the well characterized ICL1 is a dual specific enzyme able to support growth on acetate (ICL activity) and propionate (Methylcitrate lyase activity) not much is known about the structure function of Mtb ICL2. We have characterized the latter ICL and work is ongoing for identifying potential leads that can target both the Mtb ICLs simultaneously.

PUBLICATIONS

International Journal

• Antil M, and Gupta V., Lessons Learned and the Way Forward for drug development against Isocitrate lyase from Mycobacterium tuberculosis, Protein and peptide letters (2022)
• Antil M, and Gupta V., “Rv1915 and Rv1916 from Mycobacterium tuberculosis H37Rv form in vitro protein-protein complex”, Biochimica et Biophysica Acta - General Subjects Biochimica et Biophysica Acta - General Subjects vol. 1866 (6), pp. 130130, 2022
• Gupta, S. and Gupta, V. (2022). Unveiling the structural features of CysE: a novel target for therapeutic interventions against persistent mycobacteria. Journal of Applied and Natural Science, 14(2), 531 - 542. https://doi.org/10.31018/jans.v14i2.3461
• Kundu, A., Antil, M., Rana, S., Diwan, P., Gupta, R. K., & Gupta, V. (2022) Surveillance of two Noida drains for assessing the presence of carbapenem-resistant ESKAPE bacteria. International Journal of Health Sciences, 6(S1), 14216–14225.  https://doi.org/10.53730/ijhs.v6nS1.8615
• Mody D, Bouckaert J, Savvides SN, Gupta V. Rational Design and Development of HDAC Inhibitors for Breast Cancer Treatment. Curr Pharm Des. Sept. 2021;27(45):4610-4629. doi: 10.2174/1381612827666210917143953. PMID: 34533439.
• N. Goel, P. Gupta, A. Gupta, V. Gupta & A. Gupta. “Best foot forward through transformed TIL paradigm for effective online learning in India: A survey study with higher education students in Delhi-NCR”. Indian Journal of Educational Technology Vol 3, Issue 2, page 159-175, July 2021 (ISSN 2581-8325)
• Verma, D., Gupta, V. New insights into the structure and function of an emerging drug target CysE. 3 Biotech 11, 373 (2021). https://doi.org/10.1007/s13205-021-02891-9
• M. Antil, S. G. Gouin and V. Gupta. "Truncation of C-terminal intrinsically disordered region of mycobacterial Rv1915 facilitates production of "difficult-to purify”recombinant drug target" Frontiers in Bioengineering and Biotechnology. May 2020. Available at https://doi.org/10.3389/fbioe.2020.00522 [Impact factor: 4.21]
• S. Gupta and V. Gupta"Homology modeling, structural insights and in-silico screening for selective inhibitors of Mycobacterial CysE" Journal of Biomolecular Structure and Dynamics. Feb. 2020 Available at https://doi.org/10.1080/07391102.2020.1734089 [Impact factor: 3.22]
• D. Verma, Sunita Gupta, R. Saxena, P. Kaur, Rachana R, S. Srivastava and V. Gupta, “Allosteric inhibition and kinetic characterization of Klebsiella pneumoniae CysE: An emerging drug target”. International Journal of Biological macromolecules. 15;151:1240-1249; 2020DOI: 10.1016/j.ijbiomac.2019.10.170 [Impact factor: 5.162]
• M. Antil, J. Sharma, Y. Brissonnet, M. Choudhary, S. Gouin and V. Gupta, “Structure Function insights into elusive Mycobacterium tuberculosis protein Rv1916”. International Journal of Biological macromolecules. 1;141:927-936, 2019Available:https://doi.org/10.1016/j.ijbiomac.2019.09.038[Impact factor: 5.162]
• S. Soni, M. Antil and V. Gupta, “Detrimental Effects of TB on Socioeconomy of South Asia Region: Feasibility of Achieving END TB Target”. Journal of Materials Science & Surface Engineering, , 6(6): 899-904. ISSN (Online): 2348-8956; 10.jmsse/2348-8956/6-6.5[Impact factor: 1.58]
• D. Verma, M. Antil and V. Gupta, “Recombinant production of active Streptococcus pneumoniae in E. coli facilitated by codon optimized BL21(DE3)-RIL and detergent”. Preparative Biochemistry and Biotechnology, 49(4):368-374, Feb. 2019 DOI:10.1080/10826068.2019.1573194). [Impact factor: 1.24]
• P. Joshi, A. Gupta and V. Gupta. “Insights into multifaceted activities of CysK for therapeutic interventions.” 3 Biotech. 9: 44, 2019. Available: https:// doi.org/10.1007/s13205-019-1572-4. [Impact factor:1.78]
• S. Gupta, A. M. Lynn & V. Gupta, “Standardization of virtual-screening and post-processing   protocols relevant to in-silico drug discovery.” 3 Biotech. 8: 504, 2018. Available: https://doi.org/10.1007/s13205-018-1523-5 [Impact factor:1.497]
• D. Verma, S. Gupta, K. J. Kaur and V. Gupta. “Is perturbation in the quaternary structure of bacterial CysE, another regulatory mechanism for cysteine synthesis?” International Journal of Biological macromolecules. Vol. 111, pp. 1010-1018, 2018 Available: https://doi.org/10.1016/j.ijbiomac.2018.01.076[Impact factor: 3.671]
• G. Khare,V. Gupta, P. Nangpal, R.K. Gupta., N.K. Sauter and A.K. Tyagi. (2011). “Ferritin Structure fromMycobacterium tuberculosis: Comparative Study with Homologues identifies Extended C-terminus involved in Ferroxidase Activity.”PLoS One. [On-line]. 6(4): e18570. Available: http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0018570 [Impact factor:4.351]
• V. Gupta, R.K. Gupta, G. Khare, D.M. Salunke, A. Surolia and A.K. Tyagi. (2010). “Structural Ordering of Disordered Ligand Binding Loops of Biotin Protein Ligase into Active Conformations as a Consequence of Dehydration.”PLoS One. [On-line]. 5(2):e9222. Available: http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0009222 [Impact factor:4.351]
• V. Gupta, R.K. Gupta, G. Khare, D.M. Salunke and A.K. Tyagi. (2009). “Crystal Structure of Bfr A fromMycobacterium tuberculosis: Incorporation of selenomethionine results in cleavage and demetallation of Haem.”PLoS One. [On-line]. 4(11):e8028. Available: http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0008028 [Impact factor:4.351]
• G. Khare,V. Gupta, R.K. Gupta, R. Gupta, R. Bhat and A.K. Tyagi. (2009). “Dissecting the role of critical residues and substrate preference of a Fatty Acyl-CoA Synthetase (FadD13) of Mycobacterium tuberculosis” PLoSOne.[On-line].4(12):e8387. Available: http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0008387 [Impact factor:4.351]
• V. Gupta,R.K. Gupta, G. Khare, D.M. Salunke and A.K. Tyagi. “Cloning, expression, purification, crystallization and preliminary X-ray crystallographic analysis of bacterioferritin A fromMycobacterium tuberculosis.”Acta Crystallogr Sect F Struct Biol Cryst Commun., vol. 64, pp. 398-401, 2008. [Impact factor :0.551]
• V. Gupta,R.K. Gupta, G. Khare, A. Surolia, D.M. Salunke and A.K. Tyagi. “Crystallization and preliminary X-ray crystallographic analysis of biotin acetyl CoA (BirA) fromMycobacterium tuberculosis.”Acta Crystallogr Sect F Struct Biol Cryst Commun., vol. 64, pp 524-7, 2008. [Impact factor:0.551]
• J. Wall*,V.Gupta*, M. Wilkerson*, M. Schell, R. Loris, P. Adams, A. Solomon, F. Stevens and C. Dealwis. “Structural basis of light chain amyloidogenicity: Comparison of the thermodynamic properties, fibrillogenic potential, and tertiary structural features of four Vl6 proteins.”J. Mol. Recognition, vol. 17, pp. 323-32, 2004. *These authors made equal contributions to this work. [Impact factor:2.286]
• V. Gupta,C.B. Peterson, L. Dice, T. Uchiki, J. Guo, Y. Xu, R.L. Hettich, X. Zhao, R. Rothstein and C. Dealwis. “Sml1p is a dimer in solution: Characterization of denaturation and renaturation of recombinant Sml1.”Biochemistry,vol. 43, pp. 8568-8578, 2004. [Impact factor:3.226]
• T. Uchiki, R.L. Hettich,V.Guptaand C. Dealwis. “Characterization of monomeric and dimeric forms of recombinant Sml1p-histag protein by Electrospray Mass spectrometry.”Anal Biochem., vol. 301, pp. 35-48, 2001. [Impact factor:3.236]
• S. Nagpal,V.Guptaand D.M. Salunke. “Structure function analysis of tritrypticin, an antibacterial peptide of innate immune origin.”J Biol Chem., vol. 274, pp. 23296-304, 1999. [Impact factor:5.328]
• V.Gupta, S. Muyldermans, L. Wyns and D.M. Salunke.“The crystal structure of recombinant rat pancreatic RNase A.”Proteins: Structure Function and Genetics, vol. 35, pp. 1-12,1999. [Impact factor:2.813]
• V. Raghunathan, S. Khurana,V.Gupta, R. Khurana, J.B. Udgaonkar and D.M. Salunke. “Crystallization and molecular packing analysis of barstar crystals”J. Mol. Biol.,243: 533-536,1994[Impact factor: 4.008]
• J. Lisgarten,V.Gupta, D. Maes, L. Wyns, I. Zegers, R.A. Palmer, C.G. Dealwis, C.F. Aguilar and A.M. Hemmings. “Structure of the crystalline complex of cytidylic acid (2'-CMP) with Ribonuclease A at 1.6Å resolution- Conservation of solvent sites in RNaseA high resolution structures.”Acta Crystallographica,vol. D49, pp. 541-54,1993. [Impact factor:12.618]
• A. Mills,V.Gupta, N. Spink, J. Lisgarten, R.A. Palmer and L. Wyns. “Pancreatic ribonuclease co-crystallized with the dinucleotide dCpdG in two distinct form.”Acta Crystallographica, vol. B48, pp. 549-550,1992.[Impact factor:1.829]

 

BOOKS

• A.K. Tyagi, R. Singh, and V. Gupta.“The role of mycobacterial kinases and phosphatases in growth, pathogenesis and cell wall metabolism,” in The Mycobacterial Cell Envelope, Reyrat, J.M. and Daffee, M. (Eds.), ASM Press, Washington DC, USA , 2008, pp. 323-343.

INTERNATIONAL WORKSHOPS/SYMPOSIA/SEMINARS

• "Novel targets in old rouges: Integrative structural biology approach for discovery of natural product inhibitors" Invited talk in XXV General Assembly and Congress of the International Union of Crystallography - IUCr 2021 held at the Prague Congress Centre, Prague, Czech Republic from August 13-22 2021
• D. Verma and V. Gupta"Production of enzymatically active CysE from Streptococcus pneumoniaethrough codon optimized BL21(DE3)-RIL and detergent" Poster presentation at International Summit on Women in STEM–“Visualizing the Future: New Skylines, New Delhi, India 23-24th January, 2020  at India Habitat Centre, NewDelhi.
• S. Gupta &V. Gupta."Structure activity relationship (SAR) studies to maximize the activity of lead compounds against Mycobacterium tuberculosisCysE". Oral presentation in International Conference on Advances in Biosciences & Biotechnology (ICABB 2020) at Jaypee Institute of Information Technology, Sector-62, Noida, UP. 30th Jan-1st Feb 2020
• S. Semwal  andV. Gupta "Targeting PPI for therapeutic interventions". Poster presentation in International Conference on Advances in Biosciences & Biotechnology (ICABB 2020) at Jaypee Institute of Information Technology, Sector-62, Noida, UP. 30th Jan-1st Feb 2020
• B. Gaba and V. Gupta "Nanobots-the future of medical treatments". Poster presentation in International Conference on Advances in Biosciences & Biotechnology (ICABB 2020) at Jaypee Institute of Information Technology, Sector-62, Noida, UP. 30th Jan-1st Feb 2020
• M. Antil and V. Gupta.“Developing inhibitors of glyoxylate and methylcitrate cycles: A Potential therapeutic option to tackle persistent Mycobacterium tuberculosis” in International Conference on Recent Trends in Biotechnology and Bioinformatics” (ICBAB-2019), 1- 3 August, 2019 at JUIT, Waknaghat Solan
• M. Antil, M. Choudhary and V. Gupta. “Recombinant production and validation of isocitrate lyase activity of elusive Mycobacterium tuberculosis protein Rv1916” in International Conference on Recent Trends in Biotechnology and Bioinformatics” (ICBAB-2019), 1- 3 August, 2019 at JUIT, Waknaghat Solan
• S. Semwal and V. Gupta. “Role of product and substrate of Cysteine biosynthesis pathway in biofilm formation” in International Conference on Recent Trends in Biotechnology and Bioinformatics” (ICBAB-2019), 1- 3 August, 2019 at JUIT, Waknaghat Solan
• “Multidisciplinary Research at ESRF: An Opportunity for Indian Science”14th June, 2019 at Regional Centre for Biotechnology, NCR Biotech Science Cluster, 3rd Milestone, Faridabad-Gurgaon. 
• 4^th Annual India ATP on“Revamping Exam standards in India: Improving Evaluation and Assessments for Higher Education and Professionals” organized by India Association of Test Publishers, 30^thNovember, 2018 at India Habitat Centre, Lodhi Road, New Delhi.
• “Hands-on to Computational Biology for Genomics and Metagenomic Analysis” organized by PhiXGen Pvt. Ltd. at JIIT, Noida, 13^th November, 2018
• “Author Workshop on Research Paper Writing” conducted by Dept. of Humanities and Social Sciences 19-20 January, 2018 at JIIT, Noida,
• Monika Antil & V. Gupta. “Crystallization of Recombinant Isocitrate Lyase of Mycobacterium tuberculosis Complexed With Natural Product Inhibitors: A Strategy For Lead Optimization” in "Hands-on training workshop on protein crystallization in lipid bilayer" organized by ICGEB, 29th – 30th May, 2018, New Delhi.
• D. Verma and V. Gupta. “In silico screening for identification of novel CysE inhibitors: Targeting the bhelix cap of the LbH domain” in International Conference on Advances in Biosciences and Biotechnology” (ICABB-2018), 1- 3 February, 2018 at JIIT, Noida
• P. Joshi, D. Verma, Monika and V. Gupta. “Cloning, large scale purification and characterization of crystallization grade CysK from Klebsiella Pneumoniae” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• M. Lawrence and V. Gupta. “Targeting active site flexibilityof Mycobacterium Tuberculosis isocitrate lyase for potent inhibitors” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• S. Deb and V. Gupta. “Role of isocitrate lyase in adaptation to host environment” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• S. Singh, V. Thakur, D. Verma and V. Gupta. “Expanding the repertoire of amino acid” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• A. Bhatia, J. Bhasin, J. Aggarwal and V. Gupta. “Algae-biofuel production” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• S. Tyagi, Monika and V. Gupta. “Active cosmetic ingredients obtained through biotechnology for skin care” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• A. Agarwal, R. Saxena and V. Gupta. “Understanding cable bacteria - a biogeobattery in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• A. Nautiyal and V. Gupta. “Essentiality of methylisocitrate lyase” in ICABB-2018, 1- 3 February, 2018 at JIIT, Noida
• Sunita Gupta, Andrew Lynn and V. Gupta. “Homology Modeling and Structure based Virtual Screening for candidate inhibitors of Mycobacterial CysE” in International Conference on Drug Design; organized by Schrodinger, 7-9 April, 2017 at JNU, Delhi
• Soumya Soni, Ayushi Bhagat and V. Gupta.“Rising TB burden: A challenge to South Asia Region’s Economy” in International Conference on Peaceful and Prosperous South Asia-Opportunities and Challenges (ICSA-2017); organized by Dept. of Humanities and Social Sciences, 27-29 March, 2017 at JIIT, Noida
• Meghna Singh, Soumya Soni, Pooja Upadhyay, Priyansh Srivastava and V. Gupta.“Biofortification: Combating Micronutrient Deficiencies in India” in International Conference on Advances in Plant & Microbial Biotechnology (PMB-2017); organized by Dept. of Biotechnology, 2-4 Feb, 2017 at JIIT, Noida
• Monika and V. Gupta. “Cloning, Expression and Characterization of Isocitrate lyases of Mycobacterium tuberculosis” 13th Conference of the Asian Crystallographic Association (AsCA 2015), 5-8 December, 2015, Science city, Kolkata
• Deepali Verma and V. Gupta. “Recombinant Production, Biochemical Characterization and Crystallization of CysE from Klebsiella pneumoniae” 13th Conference of the Asian Crystallographic Association (AsCA 2015), 5-8 December, 2015, Science city, Kolkata
• Anuj Kumar Dwivedi and V. Gupta. “Understanding Na+/K+ ATPase for drug development” International symposium on Bioorganic Chemistry (ISBOC-10), 11-15 Jan 2015 organized by IISER Pune.
• Deepali Verma and V. Gupta. “Review of Enzymes in the Cysteine Biosynthesis Pathway” Conference Proceedings: International Conference on Life Sciences, Informatics, Food and Environment (IC LIFE), 29-30 August 2014 organized by Department of Biotechology, JIIT Noida,
• From Crystal to Structures: CCP4 Seminar cum Workshop, February 15th – 19th, 2010, Co-hosted by AIIMS, JNU, NII and RCB, New Delhi.
• G. Khare,V. Gupta, R.K. Gupta, R. Gupta, R. Bhat and A.K. Tyagi. “Biochemical characterization of FadD13 fromM. tuberculosisand identification of residues crucial for enzymatic activity” presented at the International Symposium on “Emerging Trends in Tuberculosis Research: Biomarkers, Drugs and vaccines” organized by ICGEB, New Delhi. December 1st – 3rd, 2008.
• V. Gupta,R.K. Gupta, G. Khare, D.M. Salunke and A.K. Tyagi. “BfrA, an iron storage protein ofMycobacterium tuberculosis: 2.5Å resolution crystal structure” presented at the International Symposium on “Emerging Trends in Tuberculosis Research: Biomarkers, Drugs and vaccines” organized by ICGEB, New Delhi. December 1st – 3rd, 2008.
• V. Gupta,R.K. Gupta, G. Khare, D.M. Salunke, A. Surolia and A.K. Tyagi. “Structure ofMycobacterium tuberculosisBirA at different temperatures reveals importance of protein dynamics”presented at the International Symposium on “Emerging Trends in Tuberculosis Research: Biomarkers, Drugs and vaccines” organized by ICGEB, New Delhi. December 1st – 3rd, 2008.
• Practical course on “Training in methods for Macromolecular CrystallographyM2M-7: From Measurement to Model”, November21st - 28th, 2007 organized by European Molecular Biology Laboraotry (EMBL), Hamburg, Germany.
• International Symposium on “New Frontiers in Tuberculosis Research”, December 4th – 6th, 2006 organized by ICGEB, New Delhi.
• International Symposium on “Emerging trends in Tuberculosis Research”, November 15th – 17th, 2004 organized by International Centre for Genetic Engineering and Biotechnology (ICGEB), New Delhi.
• T. Uchiki, R.L. Hettich,V.Gupta and C. Dealwis. “Phosphorylation and oligomeric state of yeast ribonucleotide reductase inhibitor Sml1” presented at the 50th American Society for Mass Spectrometry (ASMS) Conference on Mass Spectrometry and Allied Topics held at Orlando, Florida, USA during June 2nd – 6th, 2002.
• International Congress of Biochemistry and Molecular Biology (XVIth IUBMB), September 19th – 22nd, 1994 held at New Delhi, India.
• Asian Region Seminar on Crystallography in Molecular Biology from December 9th – 14th, 1993 organized by Department of Crystallography and Biophysics, University of Madras.

NATIONAL WORKSHOPS/SYMPOSIA/SEMINARS

• Gupta “Structural bioinformatics in discovery of novel inhibitors for reducing Antibiotic Resistance” Invited talk in 2-week Virtual Workshop & Hands-on Training on “Next generation bioinformatics approaches in infection biology” held at Jaypee Institute of Information technology, Noida from 4th - 15th April, 2022 
• V. Gupta. “Structural Biology, Biochemistry and Molecular Dynamics: A comprehensive approach to molecular insights into function and inhibition of CysE” delivered for DBT-BioCARe Conclave: Women Scientist Achieving Great Heights at the National Institute of Plant Genome Research, (NIPGR), New Delhi (8-9 March, 2019).
• S. Semwal and V. Gupta. “Symbiotics” A Combo Benefit for Gut Microbiome”in National Seminar on ‘Probiotics: Ameliorating the burden of lifestyle disorders’organized by Department of Microbiology, Ram Lal Anand College in association with Probiotic Association of India on 1st Feb., 2019
• Sunita Gupta & V. Gupta. “Sequence-structure analysis of Serine acetyltransferase of non-pathogenic Mycobacterium smegmatis” in Student Symposium of the National Capital Region-Structural Biology Group organized by ICMR-DBT-ESRF 18th November, 2017 at AIIMS
• S. Raina and V. Gupta. “Molecular Evolutionary analysis of Serine acetyltransfease”,  Biogenesis-3 “Emerging Trends in Medical Biotechnology and Health Care" 6th-7th March 2014, organized by  Department of Biotechnology, College of Engineering & Technology, IILM, Greater Noida
• G. Khare, P. Nangpal, V. Gupta, V. Reddy, A. Khera, R.K. Gupta, N. Sauter and A.K. Tyagi. “Structural and biochemical characterization of Bacterioferritins of Mycobacterium tuberculosis and their relative importance to the pathogens” presented at the National symposium (under UGC Resource Networking) on “Microbes in Health and Agriculture” organized by School of Life Sciences, Jawaharlal Nehru University, New Delhi-110067 during 12-13 march, 2012.
• National Conference on “Drug Discovery & Development”, January, 21st - 23rd, 2009 organized by DBT-Distributed Information sub-center, Department of Biochemistry, UDSC, New Delhi.
• Symposium on “Systems Biology”, March 12th - 13th, 2006 organized by DBT-Distributed Information sub-center, Department of Biochemistry, UDSC, New Delhi.
• Symposium on “Machine Learning Techniques in Bioinformatics”, March 28th - 29th, 2005 organized DBT-Distributed Information sub-center, Department of Biochemistry, University of Delhi South Campus (UDSC), New Delhi.
• Workshop on fundamentals of computer modelling of biomolecular interactions, April 26th – 29th, 1993 organized by All India Institute of Medical Sciences, New Delhi & Indian Biophysics Society, Delhi Chapter.
• Workshop/training on single crystal X-ray diffractometer, April 6th – 11th, 1992 organized by the Department of Biophysics, AIIMS, New Delhi.
• G. Khare, P. Nangpal,V. Gupta, V. Reddy, A. Khera, R.K. Gupta, N. Sauter and A.K. Tyagi. “Structural and biochemical characterization of Bacterioferritins ofMycobacterium tuberculosisand their relative importance to the pathogens” presented at the National symposium (under UGC Resource Networking) on “Microbes in Health and Agriculture” organized by School of Life Sciences, Jawaharlal Nehru University, New Delhi-110067 during 12-13 march, 2012.

PROTEIN DATA BANK (PDB) SUBMISSIONS

• Crystal structure of Klebsiella pneumoniae CysE in complex with L-cysteine submitted by Verma, D. and Gupta, V. PDB accession code: 6JUV ; unreleased structure
• Structure of the inhibitor complex of bovine pancreatic ribonuclease A with cytidylic acid (2'-CMP) at 1.6Å resolution submitted by J. Lisgarten,V.Gupta, D. Maes, L. Wyns, I. Zegers, R.A. Palmer, C.G. Dealwis, C.F. Aguilar and A.M. Hemmings. PDB accession code: 1ROB ; release date: 1994-01-31
• The crystal structure of recombinant rat pancreatic RNase A at 2.50Å resolution submitted by V.Gupta, S. Muyldermans, L. Wyns and D.M. Salunke. PDB accession code: 1RRA ; release date: 1998-12-09
• 1.60Å resolution crystal structure of Jto2, a mutant of the non-amyloidogenic l6 lighy chain Jto submitted by J. Wall,V.Gupta, M. Wilkerson, M. Schell, R. Loris, P. Adams, A. Solomon, F. Stevens and C. Dealwis. PDB accession code: 1PEW ; release date: 2004-07-13
• Crystal structure of JtoR68S at 1.90Å resolution submitted by J. Wall,V. Gupta, M. Wilkerson, M. Schell, R. Loris, P. Adams, A. Solomon, F. Stevens and C. Dealwis. PDB accession code: 1PW3 ; release date: 2004-08-17
• Crystal structure of BfrA fromM. tuberculosisat 2.59Å resolution submitted by V. Gupta,R.K. Gupta, G. Khare, D.M. Salunke and A.K. Tyagi. PDB accession code: 2WTL ; release date: 2009-12-15
• Crystal structure of hydrated biotin protein ligase fromM. tuberculosisat 2.80Å resolution submitted by V. Gupta,R.K. Gupta, G. Khare, D.M. Salunke, A. Surolia and A.K. Tyagi. PDB accession code: 3L2Z ; release date: 2010-03-09
• Crystal structure of dehydrated biotin protein ligase fromM. tuberculosisat 2.69Å resolution submitted by V. Gupta,R.K. Gupta, G. Khare, D.M. Salunke, A. Surolia and A.K. Tyagi. PDB accession code: 3L1A ; release date: 2010-03-09
• Crystal structure of BfrB fromM. tuberculosisat 3.00Å resolution submitted by G. Khare,V. Gupta, P. Nangpal, R.K. Gupta., N.K. Sauter and A.K. Tyagi. PDB accession code: 3QD8 ; release date: 2011-04-27

SPONSORED R&D PROJECTS

• Reverse pharmacology and multi-target approach for designing of novel therapeutics and candidates for Covid-19. Indian Council of Medical Research (ICMR) Grant value: Rs. 42.98 lakhs, PI: Vibha Gupta (JIIT ); co-PI: Punit Kaur (AIIMS); co-PI: Jyoti Sharma (Institute of Bioinformatics); 2022-24
• Development of computational framework for COVID-19 multi-omics data analysis. Indian Council of Medical Research (ICMR) Grant value: Rs. 28.3 lakhs, PI: Jyoti Sharma (Institute of Bioinformatics); co-PI: Vibha Gupta (JIIT)  2022-24
• Targeting biofilm formation by inhibiting Cysteine biosynthesis pathway enzymes in ESKAPE pathogens with natural products.Indian Council of Medical Research (ICMR) Grant value: ~Rs. 42.3 lakhs, co-PI: Vibha Gupta.[Approved for 2020-2023]
• Structural Biology of CysE from pathogenic organisms – Potential for rational drug design.“Bio-CARe”, Department of Biotechnology (DBT), Govt. of India. Grant value: ~Rs. 45 lakhs, PI: Vibha Gupta (2013-2017). [Completed]
• Development of inhibitors to target glyoxylate and methylcitrate cycles essential for persistence of Mycobacterium tuberculosis. Indian Council of Medical Research (ICMR) Grant value: ~Rs 30 lakhs, PI: Vibha Gupta (JIIT, NOIDA; ~19 lakhs) and late Dr. Chittaranjan Rout (JUIT, Waknaghat; ~11 lakhs) (2015-2018). Completed

 

SPONSORED FELLOWSHIPS

• Structural studies of Cysteine Synthase from Klebsiellapneumoniae. MOBLILEX fellowship awarded to Mr. ShubhamSemwal under the joint supervision of Dr. Julie Bouckaert (Université Lille, France) and Vibha Gupta (JIIT, Noida). Grant value: € 650/month (Feb. - July, 2020); Completed

• Rational structure-based development of potent inhibitors targeting mycobacetrial cysteine biosynthetic pathway: in silico and experimental drug design against M. tuberculosis CysE, DST funded WosA fellowship. Grant value: ~ Rs. 15.95 lakhs, PI: Ms. Sunita Gupta;Mentor: Vibha Gupta (2015-2018). Completed
• Structure, Function and Inhibition of Isocitrate Lyases of Mycobacterium tuberculosis. DST funded INSPIRE fellowship to Ms. Monika ; Supervisor: Vibha Gupta (2016-2021); Ongoing

CONFERENCES/WORKSHOPS ORGANIZED

• Joint Convenor with Dr. Shweta Dang for “International Conference on Advances in Biosciences and Biotechnology” (ICABB-2018), 1- 3 February, 2018 at JIIT, NOIDA. 
• Joint Convenor with Dr. Shweta Dang for pre-conference workshop on “Emerging trends in target identification and drug design”, 31 January, 2018 at JIIT, NOIDA. 

PH.D STUDENTS 

• Ongoing: 02
• Completed: 01
• DeepaliVerma. "Biochemical and structural insights into bacterial CysEs: Rational discovery of novel inhibitors for AMR interventions". (Oct., 2020)

 

MEMBERSHIP OF PROFESSIONAL BODIES/ NATIONAL/ INTERNATIONAL COMMITTEES

Life member of Indian Crystallographic Association (ICA)

AWARDS/RECOGNITIONS

• European Economic Community (EEC) Fellowship during M.Sc.