Dr. Bhupesh Goyal

Designation:

Assistant Professor

Specialization:

Protein folding and misfolding, molecular modeling

Email:

bhupesh@thapar.edu

Email: bhupesh@iitbombay.org

Contact No.: +91-9988110514

Research Interests/Specialization

  • Computational scrutiny of protein folding and dynamics.
  • Active site design and functional re-engineering of enzymes using computational and biophysical methods.
  • Molecular insights into the protein aggregation derived diseases using molecular docking and molecular dynamics simulation techniques.
  • Protein folding and misfolding, molecular modeling and drug design.

Education and Training:

  • 2012–2013: Postdoctoral Research Associate; Department of Chemistry & Biochemistry, Arizona State University, Tempe, USA.
  • 2007–2012: Ph.D.; Indian Institute of Technology (IIT) Bombay, Mumbai, India.
  • 2004–2006: M.Sc. (Honours School) Chemistry; Department of Chemistry, Panjab University, Chandigarh, India.
  • 2001–2004: B.Sc. (Honours School) Chemistry; Department of Chemistry, Panjab University, Chandigarh, India.

Professional Affiliations:

  • Assistant Professor (2017 – Present)
    School of Chemistry and Biochemistry, Thapar Institute of Engineering & Technology, Patiala
  • Assistant Professor (2013 – 2017)
    Department of Chemistry, Faculty of Basic and Applied Sciences, Sri Guru Granth Sahib World University (SGGSWU), Fatehgarh Sahib, Punjab
  • Assistant Professor (Contractual, April 2013 – August 2013)
    Centre for Computational Sciences, Central University of Punjab, Bathinda, Punjab
  • Postdoctoral Research Associate (2012 – 2013)
    Center for Bio-inspired Solar Fuel Production, an Energy Frontier Research Center sponsored by the U.S. Department of Energy, at Department of Chemistry & Biochemistry, Arizona State University, Tempe, USA
    Area of research: De novo design of functional membrane proteins.
  • Doctoral (Ph.D.) work (2007 – 2012)
    Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, India.
    Advisor: Prof. Susheel Durani
    Title of thesis: Protein folding and enzyme catalysis: computational and experimental studies of peptide models.
  • Trainee Research Chemist (2006 – 2007)
    Ranbaxy Research Laboratories, Gurgaon, India
    Area of research: Design and synthesis of biologically active small molecules using parallel synthesis.

Teaching Activities:

  • Department of Chemistry, SGGSWU, Fatehgarh Sahib:
    • DCH 204: Topics in Chemistry (Aug-Feb 2013, 2014, 2015, 2016)
    • MCH 404: Bioorganic Chemistry (Jan-May 2015, 2016, 2017)
    • MCH 202: Organic Reactions and Rearrangements (Jan-May 2016, 2017)
    • MCH 102: Organic Reaction Mechanism and Stereochemistry (July-Dec 2014, 2015, 2016)
    • MCH 106L: Physical Chemistry Lab-I (July-Dec 2013, 2014, 2015, 2016)
    • MCH 205L: Organic Chemistry Lab-I (July-Dec 2013, 2014, 2015, 2016)
    • MCHF 502: Organic Chemistry-V (July-Dec 2015, 2016)
    • MCHF 102: Organic Chemistry-I (July-Dec 2014)
    • MNTF/MBTF/MFTF 103: Applied Chemistry-I (Aug-Dec 2013)
    • MNTF/MBTF/MFTF 103L: Applied Chemistry Lab-I (Aug-Dec 2013)
  • Centre for Computational Sciences, Central University of Punjab, Bathinda, Punjab:
    • Contributed in the drafting of syllabus for M.Sc. in Computational Sciences
  • Department of Chemistry, Indian Institute of Technology Bombay, Mumbai:
    • CH-102 T: B. Tech. Theory Course (July-Nov 2008)
    • CH-117 L: B. Tech. Laboratory Course (July-Nov 2008, 2009)

List of Publications (SCI Journals):

  • Narang, S. S.; Shuaib, S.; Goyal, D.; Goyal, B.* Assessing the effect of D59P mutation in the DE loop region in amyloid aggregation propensity of β2-microglobulin: A molecular dynamics simulation study. J. Cell. Biochem. 2017, DOI: 10.1002/jcb.26241 (IF: 3.446)

  • Saini, R. K.; Shuaib, S.; Goyal, B.* Molecular insights into Aβ42 protofibril destabilization with a fluorinated compound D744: A molecular dynamics simulation study. J. Mol. Recognit. 2017, DOI: 10.1002/jmr.2656 (IF: 2.175)

  • Goyal, D.; Shuaib, S.; Mann, S.; Goyal, B. Rationally designed peptides and peptidomimetics as inhibitors of amyloid-β (Aβ) aggregation: potential therapeutics of Alzheimer’s disease, ACS Combi. Sci. 2017,19, 55–80. (IF: 3.317)

  • Srivastava, K. R.; Goyal, B.; Kumar, A.; Durani, S. Scrutiny of electrostatic driven conformational ordering of polypeptide chain in DMSO: A study with model oligopeptide. RSC Adv. 20177, 27981–27991. (IF: 3.289)

  • Narang, S. S.; Shuaib, S.; Goyal, B. Molecular insights into the inhibitory mechanism of rifamycin SV against β2–microglobulin aggregation: A molecular dynamics simulation study. Int. J. Biol. Macro. 2017102, 1025–1034. (IF: 3.138)

  • Shuaib, S.; Goyal, B.* Scrutiny of the mechanism of small molecule inhibitor preventing conformational transition of amyloid-β42 monomer: insights from molecular dynamics simulations. J. Biomol. Struct. Dyn. 2017, DOI: 10.1080/07391102.2017.1291363 (IF: 2.300)

  • Goyal, B.*; Srivastava, K. R.; Durani, S.* N-terminal diproline and charge group effects on the stabilization of helical conformation in alanine-based short peptides: CD studies with water and methanol as solvent. J Pep. Sci. 2017, DOI: 10.1002/psc.3005. (IF: 1.951)

  • Shuaib, S.; Saini, R. K.; Goyal, D.; Goyal, B.* Insights into the inhibitory mechanism of dicyanovinyl-substituted J147 derivative against Aβ42 aggregation and protofibril destabilization: A molecular dynamics simulation study. ChemistrySelect 20172, 1645–1657. (IF: awaited)

  • Goyal, B.*; Kumar, A.; Srivastava, K. R.; Durani, S.* Scrutiny of chain-length and N-terminal effects in α-helix folding: A molecular dynamics study on polyalanine peptides. J. Biomol. Struct. Dyn.201735, 1923–1935. (IF: 2.300)

  • Goyal, B.*; Srivastava, K. R.; Kumar, A.; Patwari, G. N.; Durani, S.* Probing the role of electrostatics of polypeptide main-chain in protein folding by perturbing N-terminal residue stereochemistry: DFT study with oligoalanine models, RSC Adv. 20166, 113611–113619. (IF: 3.289)

  • Goyal, B.*; Srivastava, K. R.; Durani, S.* Examination of the effect of N-terminal diproline and charged side chains on the stabilization of helical conformation in alanine-based short peptides: A molecular dynamics study. ChemistrySelect 20161, 6321–6327. (IF: awaited)

  • Goyal, B.*; Kumar, A.; Srivastava, K. R.; Durani, S.* Computational scrutiny of the effect of N-terminal proline and residue stereochemistry in the nucleation of alpha-helix fold. RSC Adv. 20166, 74162–74176. (IF: 3.289)

  • Kaur, A.; Mann, S.; Goyal, B.; Pal, B.; Goyal, D. CuO nanostructures of variable shapes as an efficient catalyst for [3 + 2] cycloaddition of azides with terminal alkyne. RSC Adv. 20166, 102733–102743. (IF: 3.289)

  • Goyal, B.*; Srivastava, K. R.; Patel, K.; Durani, S.* Modulation of β-hairpin peptide self-assembly: A twenty-residue poly-L β-hairpin modified rationally as a mixed-L,D hydrolase. ChemistrySelect20161, 2050–2057. (IF: awaited)

  • Goyal, B.*; Patel, K.; Srivastava, K. R.; Durani, S.* De novo design of stereochemically-bent sixteen-residue β-hairpin as a hydrolase mimic. RSC Adv. 20155, 105400–105408. (IF: 3.289)

  • Shinde, S.; Binder, J.; GoyalB.; Woodrum, B.; De Munari, S.; Levitus, M.; Ghirlanda, G. A designed buried salt bridge modulates heterodimerization of a membrane peptide. Biopolymers (Pept. Sci.) 2014102, 437-443. (IF: 2.879)

  • Srivastava, K. R.; Kumar, A.; Goyal, B.;Durani, S. Stereochemistry and solvent role in protein folding: spectroscopic and molecular dynamics studies of poly-L and alternating-L,D homopolypeptides in DMSO. J. Phy. Chem. B2011,115, 6700–6708. (IF: 3.187)

  • Patel, K.; Goyal, B.;Kumar, A.; Kishore, N.; Durani, S. Cured of “stickiness”, poly-L β-hairpin is promoted with LL-to-DD mutation as a protein and a hydrolase Mimic. J. Phy. Chem. B2010,114, 16887–16893. (IF: 3.187)

List of Publications (Non-SCI Journals): NA

Book chapters: NA

Oral and Poster Presentations:

International Conferences

  • Bhupesh Goyal, Suniba Shuaib, Rajneet Kaur Saini and Deepti Goyal, Computational insights into the inhibitory mechanism of dicyanovinyl substituted J147 derivative against Aβ42 aggregation and protofibril destabilization, International Conference on Drug Design (ICDD-2017), Jawaharlal Nehru University, New Delhi, Apr 8–9, 2017.

  • Bhupesh Goyal and Susheel Durani, Modulation of β-hairpin peptide self-assembly: canonical β-hairpin reprogrammed as a hydrolase mimic, Third International Protein Folding Symposium, NCBS, Bengaluru, Nov 8 –11, 2016.

  • Bhupesh Goyal and Susheel Durani, De Novo design of stereochemically-bent sixteen-residue β-hairpin as a hydrolase mimic. 6th International Symposium “Current Trends in Drug Discovery & Research (CTDDR-2016)” at CSIR-Central Drug Research Institute, Lucknow, Feb 25–28, 2016.

  • Bhupesh Goyal, Molecular docking analysis of the mechanism of inhibition of amyloid β-peptide aggregation in Alzheimer’s disease. International Conference on “Molecular Pharmacology, Drug Discovery and Nanopharmaceuticals (MPDDNP-2015)” at Chitkara College of Pharmacy, Chitkara University, Punjab, March 27–28, 2015. (Oral Presentation)

  • Bhupesh Goyal, Susheel Durani, Scrutiny of chain-length and N-terminal effects in oligoalanines using molecular dynamics simulations. Indo-US Conference on Molecular Modeling and Informatics in Drug Design, NIPER Mohali, Punjab, Nov. 3–6, 2014.

  • Bhupesh Goyal, Kinshuk Raj Srivastava and Susheel Durani, Conformational analysis of nonapeptides of poly-L and alternating-L,D stereochemistry containing N-terminus diproline segments. 3rd Indo-German Symposium on Frontiers of Chemistry, IIT Bombay, Sept. 27–28, 2011.

  • Bhupesh Goyal, Kirti Patel and Susheel Durani, Protein design in sequence space of L- and D--amino acids: a sixteen residue poly-L β-hairpin modified rationally as a mixed-L,D hydrolase. 242ndAmerican Chemical Society National Meeting & Exposition held at Denver, Colorado, USA, Aug. 28–Sept. 1, 2011.

  • Bhupesh Goyal, Kirti Patel and Susheel Durani, Protein design over L- and D--amino-acid alphabet: canonical β-hairpin reprogrammed as a hydrolase mimic. Indo-US Symposium/Workshop on Modern Trends in Macromolecular Structures Feb 21–24, 2011 at Department of Chemistry, IIT Bombay.

  • Anil Kumar, Bhupesh Goyal, and Susheel Durani, The stereochemical bias of nature: enquiries of its relevance to protein folding. RSC/IIT Bombay Symposium on the Chemical Sciences Celebrating the IIT Bombay Golden Jubilee on Feb 3, 2009 at IIT Bombay.

National Conferences

  • Suniba Shuaib, Rajneet Kaur Saini, Deepti Goyal, Bhupesh Goyal, Molecular dynamics simulation insights into the inhibitory mechanism of dicyanovinyl-substituted J147 derivative against Aβ42 aggregation and protofibril destabilization, Thematic Conference in Chemical Sciences (TC2S – 2017): Sustainable Chemistry, IIT Ropar, May 15–16, 2017.

  • Rajdeep Kaur and Bhupesh Goyal, Molecular insights into the development of novel inhibitors of Aβ42 peptide aggregation in Alzheimer disease using molecular dynamics simulations, 1st National Seminar on “Responsible Research and Innovations in Science and Technology (RRIST-2017)” Guru Nanak College, Budhlada, Punjab, March 18, 2017.

  • Rajneet Kaur Saini, Suniba Shuaib, Bhupesh Goyal, Destabilization mechanism of Alzheimer’s Aβ42 protofibrils with a small-molecule inhibitor: A molecular dynamics simulation study, National Conference on Recent Advances in Chemical Sciences, Maharishi Markandeshwar University Mullana, Haryana, Nov 11–12, 2016.

  • Bhupesh Goyal, Computational scrutiny of the mechanism of inhibition and binding modes of inhibitors of Amyloid β-peptide aggregation in Alzheimer’s disease. “19th Punjab Science Congress” at SUS Group of Institutions, Tangori, S.A.S. Nagar (Mohali), Feb 7–9, 2016. (Oral Presentation)

  • Bhupesh Goyal, Present scenario and recent developments in Alzheimer’s disease research. “9th Science Communicators Meet (Rastriya Vigyan Sancharak Sammelan) of 103rd Session of the Indian Science Congress” at University of Mysore, Jan 3–7, 2016.

  • Bhupesh Goyal and Susheel Durani, Computational design of monomeric β-hairpin peptide as a hydrolase mimic. 7th National Seminar on “Synergistic Aspects of Chemical and Other Sciences-2015 (SACOS-2015)” at Department of Chemistry, Punjabi University, Patiala, Feb 19–20, 2015.

  • Bhupesh Goyal and Susheel Durani, Modulation of β-Hairpin Peptide Self-Assembly: Computational Design of Monomeric β-Hairpin Peptide. National Conference on “New Frontiers in Chemical Sciences” organized by PG Department of Chemistry, G.S.S.D.G.S. Khalsa College, Patiala, Nov 15, 2014.

  • Bhupesh Goyal, Kinshuk Raj Srivastava and Susheel Durani, Influence of homochiral and heterochiral Pro-Pro segments on the conformational stability of short alanine-based peptides. National Symposium on “New Horizons in Chemistry” organized by Department of Chemistry, Indian Institute of Technology Bombay, Oct 3–4, 2011.

  • Bhupesh Goyal, Kirti Patel and Susheel Durani, Protein design in sequence space of L- and D--amino acids: A sixteen residue poly-L β-hairpin modified rationally as a mixed-L,D hydrolase. “In-House Symposium” organized by Department of Chemistry, Indian Institute of Technology Bombay, Feb 26, 2011.

  • Bhupesh Goyal, Anil Kumar, G. Naresh Patwari and Susheel Durani, Stereochemistry and the energetics of protein conformation: Combined quantum and statistical mechanical studies of tetrapeptides diastereomeric in structure. “Symposium on Recent Trends in Biophysics” organized by Department of Physics, Banaras Hindu University, Varanasi under the aegis of Indian Biophysical Society, Feb 13–15, 2010.

  • Bhupesh Goyal, Anil Kumar, G. Naresh Patwari and Susheel Durani, Stereochemistry and the conformational landscapes of polypeptide structure: a combined DFT and molecular dynamics study of tetrapeptide models. Symposium on “Frontiers on Computational Biology”organized by C-DAC, Pune, India, July 23–24, 2009.

Participation in Conferences/Workshops

  • Participated in the 11th Chandigarh Science Congress, CHASCON 2017 held at Panjab University, Chandigarh, March 9–11, 2017.

  • Participated in the “Refresher course in Basic and Applied Science” conducted by UGC-HRDC, Panjab University, Chandigarh, May 26–June 15, 2016.

  • Participated in the Vth National Symposium on “Advances in Chemical Sciences”, at Department of Chemistry, Center for Advanced Studies, Guru Nanak Dev University, Amritsar, Punjab, Feb 2–3, 2016.

  • Participated in the Professor Ram Chand Paul National Symposium on “Innovations in Chemical Sciences” organized by Department of Chemistry & Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, March 20–21, 2015.

  • Participated in the 7th National Conference on “Recent Advances in Chemical, Biological and Environmental Sciences (RACES-2015)” organized by Department of Biotechnology & Chemistry, Multani Mal Modi College, Patiala, Jan 30–31, 2015.

  • Participated in the Post-conference workshop on “Molecular Modeling in Drug Design” held at National Institute of Pharmaceutical Education & Research (NIPER) Mohali, Punjab, November 7, 2014.

  • Participated in the Pre-conference workshop on “Informatics in Drug Design” held at National Institute of Pharmaceutical Education & Research (NIPER) Mohali, Punjab, November 3, 2014.

  • Participated in the “UGC-Sponsored 21st Orientation Programme” held at Academic Staff College, Punjabi University, Patiala, June 2–28, 2014.

  • Participated in the workshop on “Patent Searching & Drafting” organized by IPR cell, SJM School of Management, IIT Bombay, January 15–16 & January 22–23, 2011.

  • Participated in the workshop of six weekends on “Intellectual Property Rights Fundamentals” organized by IPR cell, SJM School of Management, IIT Bombay, August 14–October 10, 2010.

  • Participated in the workshop on “Emerging Techniques of Biophysics” organized by Department of Physics, Banaras Hindu University, Varanasi, February 16, 2010.

  • Participated in the workshop on “Open Source Drug Discovery” organized by IPR cell, IIT Bombay on April 25, 2009.

  • Participated in the workshop on “Advances in Computer Aided Drug Discovery and Design Methods” held at Dr. D. Y. Patil University, Navi Mumbai, October 3–6 2007.

  • Participated in a two-day international seminar-cum-workshop on “Computational Drug Discovery in Pharma R & D” at SVKM’s NMIMS University, Mumbai, August 2007.

  • Participated in a two-day “Linux Workshop” conducted by Department of Computer Science & Engineering, IIT Bombay, Aug 18-19, 2007.

Administrative Duties/ Synergistic Activities

  • Coordinator, SponsorshipsPARGAAS–Enlightenment, The Youth Festival-2016 held at Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, Nov 3–4, 2016.

  • Centre Superintendent during end-semester final examination at Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab during 2015-162016-17. Conducted end-semester final examination of more than 350 students.

  • Teacher Coordinator in the Poster Making Event on “Green Technology” at PARGAAS-ENLIGHTENMENT, The Youth Fest-2014 held at Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, Feb 13, 2014.

  • Executive Secretary in organizing conference on Emerging Horizons in Science & Technology in collaboration with Punjab Academy of Sciences at Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, Jan 17–18, 2014.

  • Departmental level organizer in R&D exhibition at Techfest 2011, IIT Bombay.

  • Department Representative during 2008–09 in Research Scholar’s Forum, IIT Bombay.

  • Member of organizing team of National level Winter School in Bio-inorganic Chemistry 2007, IIT Bombay.

Awards/Honours/Fellowships:

  • Nominated by Indian Science Congress Association (ISCA), Patiala-Chapter for a poster presentation on the topic entitled “Present scenario and recent developments in Alzheimer’s disease research”in the “Science Communicators Meet (9th Rastriya Vigyan Sancharak Sammelan) during 103rd Session of the Indian Science Congress” at University of Mysore, Mysuru, Jan 3–7, 2016.

  • Invited Lecture on the topic “Understanding the role of molecular dynamics simulations in computer-aided drug design” during the 46th workshop entitled “Application of Molecular Dynamics Simulation in Molecular Modelling & Drug Designing”, at Biotech Park in Biotechnology City, Lucknow, promoted by DBT, Govt. of India and DST, Govt. of U.P. during Feb 26–28, 2015.

  • Selected for Winter School on Computational Chemistryconducted by UGC-Networking Resource Centre, School of Chemistry, University of Hyderabad during Dec 29, 2014–Jan 10, 2015.

  • Selected for the Science Academies Refresher Course on "Bioinformatics in Modern Biology" during May 5–17, 2014 at School of Life Sciences, Manipal University, Manipal.

  • Awarded Start-Up Research Grant (Young Scientists) of Rs. 14.30 lakhs on the “Computational Scrutiny of the Mechanism of Amyloid β-Peptide Aggregation” by SERB-DST, Govt. of India in 2014.

  • Awarded postdoctoral research fellowship sponsored by the U.S. Department of Energy, at Department of Chemistry & Biochemistry, Arizona State University, Tempe, USA during 2012-13.

  • Awarded Foreign Travel Grant from DST, CSIR and DBT, New Delhi, India for a poster presentation in 242ndACS National Meeting & Exposition, Denver, Colorado, USA during Aug. 28–Sept. 01, 2011.

  • Awarded Senior Research fellowship (SRF) by CSIR-UGC, New Delhi, India in 2009.

  • Awarded Junior Research fellowship (JRF) by CSIR-UGC, New Delhi, India in 2006.

  • Selected as a Summer visiting student-fellow of the Indian Academy of Sciencesunder the supervision of Prof. Y. D. Vankar, Department of Chemistry, IIT Kanpur, India. (May 2005–July 2005).

  • Rank 1 in B.Sc. (Honours School) IIIrd year at Department of Chemistry, Panjab University, Chandigarh, India during 2003-2004.

  • Merit Certificate under National Scholarship Scheme in March 1998.

Sponsored Research Projects:

  • “Computational Scrutiny of the Mechanism of Amyloid β-Peptide Aggregation”; DST-SERB Young Scientists’ Scheme, Rs. 14.30 Lakhs, 2014-2017.

Other Professional Activities:

  • Regular reviewer of the scientific journals of international repute such as RSC Advances, ChemPhysChem, Molecular BioSystems, Medicinal Chemistry Research etc.

  • Life member of Indian Biophysical Society (IBS), Tata Institute of Fundamental Research, Mumbai, India.

  • Life member of Indian Society of Chemists and Biologists (ISCB), CDRI-Lucknow, India.

  • Life member of Indian Science Congress Association (ISCA), Kolkata, India.

  • Life member of The Society of Biological Chemists India (SBCI), Indian Institute of Science, Bangalore, India.

  • Life member of Chemical Research Society of India, Indian Institute of Science, Bangalore, India.

  • Life member of Indian Peptide Society, Advanced Scientific Research (JNCASR), Bengaluru, India.

  • Life member of Punjab Academy of Sciences, Punjabi University, Patiala, Punjab, India.

  • Life member of IIT Bombay Alumini Association, IIT Bombay, Mumbai, India.

  • Member, Panjab University Chemical Society, Panjab University, Chandigarh, India.