Dr. Gyan Prakash Modi

Associate Professor
Department/School/Unit Name
Department of Pharmaceutical Engineering and Technology
Phone No(s): 7310008444
Email: gpmodi.phe@iitbhu.ac.in
Area of Interest: Development of Novel Naturally Inspired Neuroprotective Therapies for Neurogenerative Disorders like Alzheimer's Disease. Development of Novel NIRF Diagnostic Agents. Exploration of Novel Mechanism Based Theranostic Agents for AD. Novel NLRP3 Inhibitors. Design and synthesis of Novel Antibiotics and Mechanistic Evaluation.


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)

Associate Professor, Indian Insitute of Technolgoy (BHU), Varansi, India   Nov. 22, 2022 to till date
Assistant Professor, Indian Insitute of Technolgoy (BHU), Varansi, India    Feb. 4, 2016 to Nov. 21, 2022
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)
          “Repurposing IMPDH inhibitors (Design, Synthesis and Biological Evaluation) to treat microbial infection”
Graduate Studies (PhD)                                                                                   Sept.2009-Dec.2013    
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 Pharmacy                                                                                       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, (PH 222)

                                                                                   Pharmaceutical Chemistry (PH-221)

                                                                                   Essentials of Biochemistry (CY103)

                                                                                   Chemistry of Natural Products (PH 322)

                                                                                   Principle and Techniques in Molecular  Biology (PH 323)

                                          2. Postgraduate level:     Advances in Drug Synthesis 

Departmental activities:  In-charge Time Table 

                                           Member of DUGC

                                           Establishment of tinkering laboratory

                                          Member course revision committee

Student Supervision: PhD Research scholar (five ongoing), Master Thesis (10 Completed, 1 ongoing),  IDD ( 3 Completed, One ongoing)

Institute Level Activities: Member CIF  Advisory Committee 

                                            Member of institute library committee.

                                           Nominee Dean (R&D) for the Project Committee

Area of Interest 

Development of Novel Naturally Inspired Neuroprotective Therapies agents for Neurogenerative Disorders like Alzheimer's Disease.

Development of Novel NIRF and PET Diagnostic Agents for Alzheimer's Disease and Cancer 

Exploration of Novel Mechanism Based Theranostic Agents for AD

Novel NLRP3 Inhibitors for CNS and CVS disorders 

Design and Synthesis of Novel Antibiotics and Mechanistic Evaluation


Publications:  orchid ID https://orcid.org/0000-0002-8003-5566​

  1. Extraction, isolation, synthesis, and biological evaluation of novel piperic acid derivatives for the treatment of Alzheimer’s disease, Jitendra Kumar, Gauri Shankar, Sunil Kumar, Jobin Thomas, Neha Singh, Saripella Srikrishna, Jitendra Satija, Sairam Krishnamurthy, Gyan Modi, Sunil Kumar Mishra, Molecular Diversity, 6, 2023 
  2. Dendrimers as prospective nanocarrier for targeted delivery against lung cancer, Virali Arora, Mohammed AS Abourehab, Gyan Modi, Prashant Kesharwani, 10/2022. 
  3. Near-Infrared Fluorescent Probes as Imaging and Theranostic Modalities for Amyloid β and Tau aggregates in Alzheimer’s Disease (Perspective article in J. of Medicinal Chemistry, ACS, Accepted) Rai, Himanshu; Gupta, Sarika; Kumar, Saroj; Yang, Jian; Singh, Sushil; Ran, Chongzhao* ; Modi, Gyan*
  4. Multi-component Synthesis of S-Benzyl Dithiocarbamates from para-Quinone Methides and Their Biological Evaluation for the Treatment of Alzheimer’s Disease, VENKATESH, RAPELLY; Shankar, Gauri ; Narayanan, Aswathi; Modi, Gyan; Sabiah, Shahulhameed; Kandasamy, Jeyakumar. Accepted in J of Organic Chemistry, ACS.
  5. Exploration of Neuroprotective Properties of Naturally Inspired Multifunctional Molecule (F24) Against Oxidative Stress and Amyloid β Induced Neurotoxicity in Alzheimer's Disease Models. ACS Chemical Neuroscience, Dec., 2021
  6. Further SAR Studies on Natural Template Based Neuroprotective Molecules to Identify Potent Multifunctional Molecules for the Management of Alzheimer’s Disease., Bioorganic and medicinal chemistry, 2021.
  7. Essential but not Vulnerable: Structure-guided design of inosine 5’-monophosphatedehydrogenase (IMPDH) inhibitors for Staphylococcus aureus infections.Gyan Modi, Gary M. Marqus, Mohana Rao Vippila, Deviprasad R. Gollapalli, Youngchang Kim, Adhar C Manna, Shibin Chacko, Natalia Maltseva, Xingyou Wang, Ryan T. Cullinane, Yubo Zhang, Judy L. M. Kotler, Petr Kuzmic, Minjia Zhang, Ann P. Lawson,1 Andrzej Joachimiak, Ambrose Cheung, Barry B. Snider, David M. Rothstein, Gregory D. Cuny and Lizbeth Hedstrom, ACS Infectious disease, 2021.
  8. Identification of high affinity and low molecular alternatives of boceprevir against SARS-CoV-2 main protease: a virtual screening approach. Subhomoi Borkotoky  , Manidipa Banerjee  , Gyan Prakash Modi  and Vikash Kumar Dubey  *,  (Accepted for the publications Chemical Physics Letter, I.F. 2.02) 
  9. A Review on Ferulic Acid and Analogs Based Scaffolds for the Management of Alzheimer’s Disease  Yash Pal Singh,a,1 Himanshu Rai,a,1 Gourav Singh,a Gireesh Kumar Singh,b Sunil Mishra,a  Saroj Kumar, S Srikrishna,c Gyan Modi a* (Accepted for the publications European J of Medicinal Chemistry, I.F. 5.56) 
  10. Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/Toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: An effort towards drug repurposing to combat COVID-19", Himanshu Rai1. Atanu Barik1. Yash Pal Singh1. Akhil Suresh2. Lovejit Singh1. Gourav Singh1. Usha Yogendra Nayak2.  Vikash Kumar Dubey3. Gyan Modi1* (Accepted for the publicationsin Molecular Diversity, IF 2.2)
  11. The Evolving Landscape of Exosomes in Neurodegenerative diseases
    Salivary Exosomes, a promising candidate for early diagnosis, Simran Rastogi, Vaibhav Sharma, Prahalad Singh Bharti, Komal Rani, Gyan Modi, Fredrik Nikolajeff *, Saroj Kumar * (Invited review, accepted for the publication in International Journal of Molecular Sciences, I.F. 4.55)
  12. A novel approach to correlate the salivary exosomes and their protein cargo in the progression of cognitive impairment into Alzheimer's disease. KOMAL RANI; SIMRAN RASTOGI; POORVI VISHWAKARMA; PRAHALAD S BHARTI; VAIBHAV SHARMA; GYAN P MODI; VENUGOPALAN Y VISHNU; PRASHUN CHATTERJEE; APARAJIIT B DEY; FREDRIK NIKOLAJEEF;​ (Accepted for publication in J of  Neuroscience methods, I.F. 2.2)
  13. Drug repurposing for Alzheimer’s disease: in silico and in vitro investigation of FDAapproved drugs as acetylcholinesterase inhibitors. Navneet Kumar , Anuj Gahlawat  , Rajaram Naresh Kumar, Yash Pal Singh , Gyan Modi,  Prabha Garg  (Accepted for publications in J of bimolecular structure and dynamics)
  14. Molecular docking and binding mode analysis of selected FDA approved drugs against COVID-19 selected key protein targets: An effort towards drug repurposing to identify the combination therapy to combat COVID-19
    Atanu Barik, Geeta Rai, Gyan Modi,  https://arxiv.org/abs/2004.06447
  15. Design, synthesis and biological evaluation of novel naturally-inspired multifunctional molecules for the management of Alzheimer's disease.   European Journal of Medicinal Chemistry (IF. 5.56)  Yash Pal Singh, Gullanki Naga Venkata Charan Tej, Amruta Pandey, Khushbu Priya, Pankaj Pandey, Gauri Shankar Prasanta Kumar Nayak,Geeta Rai, Amar G. Chittiboyina, Robert J Doerksen, Swati Vishwakarma, Gyan Modi.
  16. 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)
  17. 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.)
  18. 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)
  19. 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.)
  20. 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
  21. 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)
  22. 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)
  23. 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)
  24. 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)
  25. 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).
  26. 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).
  27. 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)
  28. 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)

Book Chapter 

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

Book Proposal Accepted

Natural product-based synthetic drug molecules in Alzheimer's Disease - Therapeutic & Theranostic agents” (Editors: Dr. Abha Sharma, NIPER-Raebareli and Dr. Gyan Prakash Modi, IIT BHU)

Publisher: Springer Nature 

Patents Granted:  1. 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)

Patent Number: 407154

Role: Inventor 

3.A Pharmaceutical composition of sulfonamide derivatives for the treatment of Alzheimer’s disease. (Indian Patent File 201711041328)

Patent Number: 404586 

Role: Co- Inventor 


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. A NOVEL ANTI-COAGULANT FORMULATION AND A METHOD OF PREPARATION THEREOF, Sairam Krishnamurthy, Pankaj Palliwal, Gopi Chand, SK Singh, Gyan Modi (201911012094)

5. ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND USES THEREOF, Michael J. Pepi, Lizbeth K. Hedstrom, Deviprasad R. Gollapalli, Shibin Chacko, Gyan Modi, Suresh Kumar and Greg Cuny, PCT/US19/29338 (Filled on April 26, 2019)

6. COMPOUNDS AND METHODS FOR TREATING CHRONIC MICROBIAL INFECTIONS, Lizbeth K. Hedstrom, Deviprasad R. Gollapalli, Gregory D. Cuny, Suresh K. Gorla, Gyan Modi, and Mohana R Vippila, Filing Date:  November 25, 2019, FH Reference No.:  PCT/US19/62946

7. A MULTIFUNCTIONAL DIARYLUREA-HYDROXYAMIDINE BASED COMPOUND FOR TREATMENT OF ALZHEIMER DISEASE, gyan modi, Yash Pal,  C. Praveen Kumar, Meenu Yadav, Gauri Shankar, Gourav Singh, Saroj Kumar, S Srikrishna. TEMP/E-1/1680/2021-DEL, 12 Jan, 2021.

8. An Imaging Probe for Detection of Key Biomarkers in Alzheimer Disease (Patent ICMR-202211027649), Gyan Modi, Himanshu Rai, Saroj Kumar, Rishab Singh, Sarika Gupta, Sairam Krishnamurthy, Gauri Shankar,  S Srikrishna, Brijesh Singh


Design, synthesis, and biological evaluation of mechanism-based novel theranostic agents for Alzheimer’s disease (CRG/2022/007126, PI, Fund INR-55,24,400)

Development of exosome based drug delivery system for naturally inspired novel multifunctional neuroprotective molecules and their biological evaluation in Alzheimer’s disease models (ICMR-EMR-2021, PI, Fund INR-55,59,246) 

Development of novel near infrared fluorescence imaging probes for detecting amyloid beta species in eyes of Alzheimer’s disease animal model,  PI, Extramural grant, ICMR Project code: 2019-3088, Fund INR 37,00,000) 

Design, Synthesis and Biological Evaluation of O- and C-Derivatives of Phenylethanoid Glycosides as a Multi-targeting Neuroprotective Disease Modifying Agents for Alzheimer's Disease Role Co-PI, (SERB-CRG/2020/5542, Cost Rs. ~47,00,000) PI Dr. Jeyakumar Kandasamay, Dept of Chemistry, IIT (BHU)

Consequences of differentially expressed miRNAs after synergistic chemopreventive effects of Boesenbergia pandurata extracts and G-111 compound in breast cancer cells under hypoxia (ICMR-RA- to Dr. Nishant Rana, 2021-15006)

Development of exosome based drug delivery system for naturally inspired novel multifunctional neuroprotective molecules and their biological evaluation in Alzheimer’s disease models (ICMR-SRF to Mr. Gauri Shankar-2021-9209, technically approved)

“Development of novel aggregation-induced-emission (AIE) active fluorescence imaging probes to detect the pathogenic biomarkers of Alzheimer’s disease.” (ICMR-SRF to Mr. Himanshu Rai-2021-9209)

“Design, synthesis, and biological evaluation of Caffeic acid-based naturally inspired novel neuroprotective molecules for the treatment of Alzheimer's disease” (DST-Inspire- Mr. Sunil Kumar)

Development of Green & Sustainable C-H Functionalization Approaches: Total Synthesis of Medicinally Active Molecules and Their Biological Evaluation. (Approved  ICMR RA fellow,  and transferred to ICT, Mumbai)


"Design and Development of Selective Acetylcholine Esterase Inhibitors for the Treatment of Alzheimer’s Disease". IIT(BHU) Send Money, Fund INR 10,00,000 

Natural Template Based Novel NeuroprotectivE  Molecules for The Management of Alzheimer’s Disease (SERB-CRG/2018/003490)

Role: PI

Re-purposing of approved drugs from DrugBank database for possible treatment for COVID-19 by targeting SARS-CoV-2main protease (Role Co-PI, SERB-CRG Special call)

Role: Co-PI, PI Prof. Vikash Kumar Dubey, Dept of Biocehmcail Engineering, IIT (BHU

1. Rotatory Evaporator
2. Ultra Low Temperature Reaction-Bath with Inbuilt Magnetic Stirrer 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
7. Deep Freezer (-80 C)
8. CO2 incubator
9. Biosafety cabinet
10. Plate reader (absorption based)
11. Inverted microscope

12. Centrifuge 

Sarika Gupta, National Institute of Immunology, New Delhi
Saroj Kumar, All India Institute of Medical Sciences, New Delhi
S. Srikrishnar, Dept of Biochemistry, BHU


Former PhD  Students
1. Yash  Pal Singh (December, 2021) Current Position:  Faculty at HPTU, Hamirpur.

Yash was also selected for DBT-RA position with Prof.T Govindaraju, JNCASR. 

Current PhD Students
  1. Gourav Singh 
  2. Gauri Shankar
  3. Himanshu Rai
  ​4. Sunil Kumar 
  5. Rakesh Gautam

Current Project Fellow Students

1. Mr. Animesh Gupta 

Current PG (IDD and M.Pharm) students

1.  Dewang 

Former PG,(M.Pharm) and IDD 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:
5. Meenu Yadav
6. C. Praveen Kumar
7. Prince Kumar- IDD 
8. Manish Kumar- IDD 
9. Atanu Barik
10. Lovejiit Singh

Former UG Students

1. Deepak Yadav
2. Prem Chopra 
3. Abhishek Kumar Singh


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 program (2009-2013), Wayne state university.
Received the grant from the university grant commission (UGC), India for Master of Pharmacy.