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Dr. Gyan Prakash Modi
Assistant Professor
Department of Pharmaceutical Engineering and Technology IIT BHU
Area of Interest: 
Development of Novel Naturally Inspired Neuroproective Therapies and Imaging Agents for Alzheimer Disease. Design and synthesis of Novel FtsZ inhibitors as antimicrobial agents.


Ph.D. (Major-Medicinal Chemistry)   Dept. of Pharmaceutical Sciences,     Wayne State University, Detroit, MI,USA        Sep.2009-Dec.2013      
(Minor Organic Chemistry)                                           
Master of Pharmacy      Institute of Technology, Dept. of Pharmaceutics,         Aug.2005-Aug.2007   
(Pharm. Chem.,GPA = 8.3/10)     Banaras Hindu University, Varanasi, India (Course work)
                                                 Central Drug Research Institute, Lucknow (Project work)
Assistant Professor, Indian Insitute of Technolgoy (BHU), Varansi, India   Feb. 2016 to till date
Visiting Research Sceintist, Brandeis University,                                         Feb. 2016 to Feb. 2017
Dept. of Biology, Waltham, USA
Postdoctoral Research Associate                                                               Feb.2014 to Jan. 2016
Supervisor: Dr. Lizbeth Hedstrom (Dept. of Chemistry and Biology, Brandeis University, USA)
                   Dr. Greg Cuny (Dept. of Pharmacology and Pharmaceutical Sciences, Houston College of Pharmacy, University of Houston, USA and Former Co-Director of the Laboratory for Drug Discovery in Neurodegeneration at the Harvard NeuroDiscovery Center)
“Design, synthesis and biological evaluation of novel selective IMPDH inhibitors to treat Jan microbial infection”
Graduate Studies (PhD)                                                                                   Sept.2009-Dec.2013    
Brandeis university researcher Hall and Robash are the recipient of Nobel Prize in Physiology or Medicine in 2017   
Supervisor: Dr. Aloke K Dutta 
Dept. of Pharmaceutical Sciences, Wayne State University, USA
“Development of multifunctional drugs for the symptomatic and neuroprotective treatment of Parkinson’s disease (PD).”
Master of Phamracy                                                                                       June 2006-March 2007
Supervisors: Dr. A K Saxena (CDRI, India) and Dr. SK Singh IT(BHU)
“Synthesis of octahydropyrazinopyridoindoles as biodynamic agents and QSAR studies on 3-aminopyrazole derivatives as anticancer agents”

COURESER TAUGHT :  1. Undergraduate level:  Bioorganic and Medicinal Chemistry, Basic of Pharmaceutical Sciences, Medicinal chemistry, Advances instrumental analysis

  1.  Postgraduate level: 1. Advances in Drug Synthesis 2. Advanced medicinal chemistry
  2. PhD level: Advanced bioanalytical techniques                   

Departmental activities: Member of DPGC, Establishment of tinkering laboratory, Institute  level project submission form the department of worth  Rs 1.0 crore and member of institute library committee. Member course revision committee
Student Supervision: PhD Research scholar (one ongoing), Master Thesis (4 completed, 2 ongoing),  IDD (One ongoing)
Institute Level Activities: NMR handling at Central instrument facility. Member of institute library committee. Member of the project  purchase committee. 

Area of Interest 
1. Development of Novel Naturally Inspired Neuroproective Therapies and Imaging Agents for Alzheimer Disease.
2. Design and synthesis of Novel FtsZ inhibitors as antimicrobial agents.


  1. A review on iron chelators as potential therapeutic agents for the treatment of Alzheimer's and Parkinson's diseases. Yash Pal, Amruta Pandey, Swati Vishwkarma, Gyan Modi (Under minor revision, Mol diversity, Springer)
  2. Piperazine-2,5-diones as a dual inhibitor of Acetylcholine esterase and Matrix metalloproteinase (MMP-2) for Alzheimer disease. Devendra Kumar, Sukesh K. Gupta, Ankit Ganeshpurkar, Gopichand Gutti, Krishnamurthy Sairam, Gyan Modi, Sushil Kumar Singh (Accepted for Publication in  European J of Med. Chem.)
  3. Biomolecular basis of Matrix Metallo Protenase -9 (MMP-9) activity.  Rayala Swetha, Chandrim Gayen,  Devendra Kumar,  Tryambak Deo Singh, Gyan Modi, Sushil  K Singh (Accepted for Publication in Furture Medicinal Chemistry)
  4. Secreatase Inhibitors for The Tretatment of Alzheimer’s Disease: Long Road ahead. Devendra Kumar, Ankit Ganeshpurkar, Dileep Kumar, Gyan Modi, Sanjev Kumar, Sushil K singh.  (Accepted for Publication in  European J of Med. Chem.)
  5. Alpha-synuclein aggregation modulation: An emerging approach for the treatment of Parkinson’s disease. Sushil K. Singh, Aloke Dutta,  and Gyan Modi*. Invited review in Furture medicinal chemistry. Furture Medicinal Chemistry, 2017, 9(10). 1039-1053
  6. Inhibition of IMPDH from Bacillus anthracis: Mechanism revealed by pre-steady state kinetics. Yang Wei, Petr Kuzmic, Runhan Yu, Gyan Modi and Lizbeth Hedstrom (Journal of Biochemistry, 2016, 55 (37), 5279-88)
  7. Inhibitors of IMPDH from mycobacterium tuberculosis with antitubercular activity. Magdalena Makowska-Grzyska, Youngchang Kim, Suresh Kumar Gorla, Yang Wei, Kavitha Mandapati, Minjia Zhang, Natalia Maltseva, Gyan Modi, Helena I. Boshoff, Minyi Gu, Courtney Aldrich, Gregory D. Cuny, Lizbeth Hedstrom and Andrzej Joachimiak. (Plos One, Pubished on Oct. 6, 2015, DOI:10.1371/journal.pone.0138976)
  8. Dopamine D3 agonists in the treatment of Parkinson’s disease. Banibrata Das, Gyan Modi, Aloke Dutta (Invited review in Current Topics in Medicinal Chemistry, 2015,15, 10, 908-926)
  9. Understanding the structural requirements of hybrid (S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol and its analogs as D2/D3 receptor ligands: A three-dimensional quantitative structure-activity relationship (3D QSAR) investigation. Gyan Modi, Horrick Sharma, Prashant Kharkar*, Aloke K. Dutta*, (MedChemComm, 2014, 5, 1384-1399)
  10. Multifunctional D2/D3 agonist D-520 with high in vivo efficacy: Modulation of toxicity of alpha synuclein aggregates. Gyan Modi, Chandrashekhar Voshavar, Sanjib Gogoi, Mrudang Shah, Tamara Antonio, Maarten E.A. Reith, Aloke K. Dutta (ACS Chemical Neuroscience, 2014, 5, 700-717).
  11. Structural modifications of neuroprotective anti-Parkinsonian (-)-N6-(2-(4-(Biphenyl-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine (D-264): An effort towards the improvement of brain penetration property of the parent molecule. Gyan Modi, Tamara Antonio, Maarten Reith, Aloke Dutta. (J. Med. Chem., 2014, 57, 1557-1572).
  12. Novel bivalent ligands for D2/D3 dopamine receptors: Significant co-operative gain in D2 affinity and potency. Sanjib Gogoi, Swati Biswas, Gyan Modi, Tamara Antonio, Maarten Reith,  Aloke K. Dutta. (Medicinal Chemistry Letter, 2012, 3(12), 991-996)
  13. Further structure activity relationship studies on 4-((((3S,6S)- 6-Benzhydryltetrahydro-2H-pyran-3- yl)amino)methyl)phenol: Identification of compounds with triple uptake inhibitory activity as potential antidepressant agents.  Bhaskar Gopishetty, Stuart Hazeldine, Soumava Santra, Mark Johnson, Gyan Modi, Solav Ali, Juan Zhen, Maarten Reith, and Aloke Dutta. (J. Med. Chem., 2011, 54, 2924–2932)


  1. Targeting purine biosynthesis for antibacterial drug design. Gyan Modi, Shibin Chacko and Lizbeth Hedstrom.  (RSC, Antibiotic drug discovery, 2016)

PDB Crystal Structre

  1. 4 ZQP:  Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1

2.4ZQM: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with XMP and NAD

3.4ZQN: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor P41

4.4ZQO: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor Q67

5.4ZQR: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis

1. Mulifuncational drug development for the treatment of Parkinson’s disease (NIPER- 8Th NIPER (RBL)-CSIR-CDRI Symposium ,March 18-19, Raiberallery, India
2. Contemporary Facts in organic synthesis 2017, Department of Chemistry, IIT (Roorkee), to be held in Decmber -2017
3. Development of Novel Multifunctional Drugs for Multifactorial Diseases, FDP,  resource person, AITM, Varanasi.  


  1. Development of Novel Dual Acting Nueroprotective Agents for the Treatment of Alzheimer’s Disease Yash Pal Singh, Amruta Pandey, Swati Vishwakarma, Gyan Modi* (EMBO workshop to be helad  from August 29- Spetember 01, 2018)
  2. “Design, synthesis and characterization of novel molecules used in the treatment of Alzheimer disease” Amruta Pandey, Swati Vishwakarma, Yash Pal Singh and Gyan Modi (ETDDD, 2018, IIT (BHU), Varanasi).
  3. Design, synthesis and biological evaluation of novel dual inhibitors for the treatment of Alzheimer’s disease. Chandrim Gayen, Devendra Kumar, Ashok Kumar, Sushil K Singh and Gyan Modi (27th ISCB International Conference , February 8-10, 2017, Chennai, India)
  4. Institute day 2018
  5. Structural modification of D-264: Synthesis, biological evaluation and molecular modeling studies for the treatment of Parkinson's disease. Gyan Modi,  Horrick Sharma, Tamara Antonio, Maarten Reith, Aloke Dutta (Oral Presentation at Mid-Atlantic Graduate School Symposium in Medicinal Chemistry, Ohio State University, Ohio, June 9-11, 2013).
  6. Evaluation of multifunctional dopamine agonists in modulation of alpha synuclein induced aggregation and toxicity: Implication in neuroprotective treatment of Parkinson’s disease. Chandrashekhar Voshavar, Mrudang Shah, Gyan Modi, Liping Xu, Aloke Dutta. (Society for Neuroscience, San Diego, November 2103)
  7. Development and evaluation of anti-oligomeric and/or anti-fibrillar activity of potential inhibitors of α- synuclein aggregation for the treatment of Parkinson’s disease.  Mrudang Shah, Gyan Modi, Mark Johnson, Aloke Dutta. (Society for Neuroscience, New Orlean, October, 2012).
  8. Structural modification of (-)-N6-(2-(4-(Biphenyl-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6-tetrahydrobenzo[d]thiazole-2,6-diamine (D-264): An Effort to improve the blood brain barrier crossing ability and multifunctional property in lead compounds for the treatment of Parkinson's Disease. Gyan Modi, Tamara Antonio, Maarten Reith, Aloke Dutta (American Chemical Society,  March, 2012)
  9. QSAR studies on 3-Aminopyrazole inhibitors of Cdk2/Cyclin A as anti-tumor agents.  A.  K.Saxena and  Gyan P. Modi  (CTDDR-2007, Lucknow, India), Abstract in MCR,15,1/6,2007.
  10. Indian medicinal plants against psoriasis. S.K. Singh, Gyan P. Modi,  Sanjay Bharti  (9th CPAC, Malaysia, 2007)

PATENTS FILLED: 1.  IMPDH-targeted antibiotics, Michael J. Pepi, Lizbeth K. Hedstrom, Deviprasad R. Gollapalli, Shibin Chacko, Gyan Modi, and Suresh Kumar, Filing Date:  April 26, 2018, FH Reference No.:  BUG-07360 (22247-07360)
2. Compounds and methods for the treating chronic microbial infecstions, Lizbeth K. Hedstrom, Deviprasad R. Gollapalli, Suresh Kumar and Gyan Modi, Filing Date:  November 30, 2018,
U.S. Application No. 62/773,703
3.A Pharmaceutical composition of sulfonamide derivaies for the treatment of Alzheimer’s disease. (Indian Patent File 201711041328)
4.Development of multifunctional hybrid 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid and substituted amine/piperazine  derivatives for the treatment of neurodegenerative disorders   Gyan Modi, Yash Pal Singh, and Amruta Pandey (Patent Application # 201911000362)

Natural Template Based Novel Neuroprotective Molecules for The Management of Alzheimer’s Disease (SERB-Core Research Grant (CRG), PI)
'Development of novel near infrared fluroscence imaging probes for detecting amyloid beta species in eyes of alzheimer's disease animal model' (ICMR)  Role: PI
Design and Development of Selective Acetylcholine Esterase Inhibitors for the Treatment of Alzheimer’s Disease. IIT(BHU)

1. Rotatory Evaporator
2. Ultra Low Temperature Reaction-Bath with Inbuilt MagneticStirrer facility.
3.  ThermoMixer C, basic device 
4. SmartBlock 1.5mL, thermoblock for 24 tubes 1.5 mL
5. ThermoTop with condens.protect technology for ThermoMixer C,
6.SmartBlock plates, thermoblock for plates and deepwell plates incl. Lid

Current PhD  Students
1. Yash  Pal Singh
Current PG,  and IDD Students
1. Meenu Yadav
2. C. Praveen Kumar
3. Prince Kumar- IDD 9 semester
4. Manish Kumar- IDD 7 semester

Current UG Students
1. Deepak Yadav
2. Prem Chopra 
3. Abhishek Kumar Singh

Past PG students
1. Chandrim Gayen 2016-17, Current position:
2. Ragini Gupta-2016-17, Current position:
3. Amruta Pandey-2017-18, Current position:
4. Swati Vishwakarma-2017-18, Current position:

      Selected as Participant to attend Young Investigator Meeting (YIM-2019) Sponsored by Indiabioscience, Division of DBT, india
      SERB International Travel Support-2018
for EMBO workshop
      Outstanding Scientist in Medicinal Chemistry, Venus International Foundation, 2017
      NIH  Postdoctoral fellowship 2014-2016
      Frank O. Taylor award, In reorganization of outstanding scholarship and academic performance. dept. of pharm. sci., wayne state university.
      Travel Award, Graduate school and Dept. of Pharm. Sci,, Wayne state university.
      Graduate Research Assistantship for PhD programe (2009-2013), Wayne state university.
     Received the grant from the university grant commission (UGC), India for Master of Pharmacy.