Publications
49.
Abdullah I Al-Homoudi, Joseph Engel, Michael D Muczynski, Joseph S Brunzelle, Navnath S Gavande, Ladislau C Kovari*. “Human structural homologues of SARS-CoV-2 PLpro as anti-targets: A strategic panel analysis”. microPublication Biology (2025), Article in Press. https://doi.org/10.17912/micropub.biology.001418
48.
Mohamad Bakkar, Sara Khalil, Komal Bhayekar, Narva Deshwar Kushwaha, Amirreza Samarbakhsh, Sadaf Dorandish, Holly Edwards, Q Ping Dou, Yubin Ge*, Navnath S Gavande* “Ubiquitin-specific protease inhibitors for cancer therapy: Recent advances and future prospects“. Biomolecules (2025), 15(2), 240. https://doi.org/10.3390/biom15020240. *Paper featured on the cover of the journal.
47.
Shital M. Patil, Kalyani D. Asgaonkar, Shashikant Bhandari, Aishwarya Edake, Harun Patel, Bhatu Patil, Iqrar Ansari, Indrani Mahadik, Omkar Kamble, and Navnath S. Gavande. “Integrated computational approach for desiging potent EGFR-TK inhibitors: QSAR, docking, ADMET and molecular dynamics studies“. Chemistry & Biodiversity (2025), 0:e202403150 https://doi.org/10.1002/cbdv.202403150
46.
Shital M. Patil, Piyush Nikalje, Navnath Gavande, Kalyani D. Asgaonkar and Vaishnavi Rathod. “An insight into the structure-activity relationship of benzimidazole and pyrazole derivatives as anticancer agents”. Current Topics in Medicinal Chemistry (2025), 25, 350-377. https://doi.org/10.2174/0115680266343336241021080438
45.
Salma Althobaiti, Prahlad Parajuli, Duy Luong, Samaresh Sau, Lisa A Polin, Seongho Kim, Yubin Ge, Arun K. Iyer* and Navnath S. Gavande* “Enhanced safety and efficacy profile of CD40 antibody upon encapsulation in pHe-triggered membrane-adhesive nanoliposomes.” Nanomedicine (2024), 20 (2), 155-166. https://doi.org/10.1080/17435889.2024.2446008
44.
Pamela L. Mendoza-Munoz, Narva Deshwar Kushwaha, Dineshsinha Chauhan, Karim Ben Ali Bacem, Joy E. Garrett, Joseph R. Dynlacht, Jean-Baptiste Charbonnier, Navnath S. Gavande* and John J. Turchi*. “Impact of optimized Ku-DNA binding inhibitors on the cellular and in vivo DNA damage response”. Cancers (2024), 16(19), 3286. https://doi.org/10.3390/cancers16193286
43.
Sneha Singh, Faraz Ahmad, Hariprasad Aruri, Susmita Das, Prahlad Parajuli, Navnath S. Gavande*, Pawan Kumar Singh*, Ashok Kumar*. “Novel quinoline substituted autophagy inhibitors attenuate zika virus replication in ocular cells”. Virus Research (2024), 347, 199419. https://doi.org/10.1016/j.virusres.2024.199419
42.
Tom Lucaj, Ian Hay, Amirreza Samarbakhsh, Mel Bedi, Arun K. Iyer and Navnath S. Gavande*. An overview on development of pharmacotherapeutics targeting SARS-CoV-2. Drug Discovery Today (2024), Aug 2:104126. https://doi.org/10.1016/j.drudis.2024.104126
41.
Jeremy M. Kelm, Deepti S. Pandey, Evan Malin, Hussein Kansou, Sahil Arora, Raj Kumar and Navnath S. Gavande*. PROTAC’ing oncoproteins: targeted protein degradation for cancer therapy”. Molecular Cancer (2023), 22(62). https://doi.org/10.1186/s12943-022-01707-5
40.
Pamela L. Mendoza-Munoz, Navnath S. Gavande, Pamela S. VanderVere-Carozza, Katherine S. Pawelczak, Joseph R. Dynlacht, Joy Garrett and John J. Turchi. “Ku-DNA binding inhibitors modulate the DNA damage response in response to DNA double-strand breaks”. Nucleic acids Research Cancer (2023), 5(1), zcad003. https://doi.org/10.1093/narcan/zcad003
39.
Priam Maity, Joydeep Chatterjee, Kiran T. Patil, Sahil Arora, Madhurendra Katiyar, Manvendra Kumar, Amirreza Samarbakhsh, Navnath S. Gavande and Raj Kumar et. al. “Targeting the Epidermal Growth Factor Receptor with Molecular Degraders: State-of-the-Art and Future Opportunities”, Journal of Medicinal Chemistry (2023), 66 (5), 3135-3172. http://10.1021/acs.jmedchem.2c01242
38.
Ketki Bhise, Navnath S. Gavande, Arun K. Iyer. “Leverging hypoxia in triple-negative breast cancer as a promising strategy”, Drug Discovery Today (2023), 28 (11), 103761. https://doi.org/10.1016/j.drudis.2023.103761
37.
Prahlad Parajuli*, Rayna Rosati, Hirva Mamdani, Robert E. Wright III, Zahin Hussain, Aroma Naeem, Sijana Dzinic, Lisa Polin, Navnath S. Gavande*, Manohar Ratnam. “Senescence‑associated secretory proteins induced in lung adenocarcinoma by extended treatment with dexamethasone enhance migration and activation of lymphocytes“, Cancer Immunology, Immunotherapy (2022), 72, 1273-1284. https://doi.org/10.1007/s00262-022-03332-z
36.
Diana Ainembabazi, Xinran Geng, Navnath S. Gavande, John J. Turchi, Youwei Zhang. “Synthesis and Biological Evaluation of Cardiac Glycosides for Cancer Therapy by Targeting the DNA Damage Response”, ChemMedChem (2022), e202200415. https://doi.org/10.1002/cmdc.202200415
35.
Mohd Ahmar Rauf, Maryam Nisar, Hosam Abdelhady, Navnath S. Gavande and Arun K. Iyer. “Nanomedicine Approaches to Reduce Cytokine Storms in Sever Infections “, Drug Discovery Today (2022), 27 (11): 103355. https://doi.org/10.1016/j.drudis.2022.103355
34.
Disha Iyengar, Katyayani Tatiparti, Navnath S. Gavande, Samaresh Sau, Arun K. Iyer. “Nanomedicine for overcoming therapeutic and diagnostic challenges associated with pancreatic cancer”, Drug Discovery Today (2022), 27 (6), 1554-1559. https://doi.org/10.1016/j.drudis.2022.02.026
33.
Jeremy M. Kelm, Amirreza Samarbakhsh, Athira Pillai, Pamela S. VanderVere-Carozza, Hariprasad Aruri, Deepti Pandey, Katherine S. Pawelczak, John J. Turchi and Navnath S. Gavande*, “Recent Advances in the Development of Non-PIKKs Targeting Small Molecule Inhibitors of DNA Double-Strand Break (DSB) Repair”, Frontiers in Oncology (2022) 12:850883. https://doi.org/10.3389/fonc.2022.850883
32.
Pamela S. VanderVere-Carozza, Navnath S. Gavande, Shadia I. Jalal, Karen E. Pollok, Elmira Ekinci, Joshua Heyza, Steve M. Patrick, Andi Masters, John J. Turchi* and Katherine S. Pawelczak*, “In Vivo Targeting Replication Protein A for Cancer Therapy”, Frontiers in Oncology (2022) 12:826655. https://doi.org/10.3389/fonc.2022.826655
31.
Gaurav Joshi, Manisha Sharma, Sourav Kalra, Navnath S. Gavande*, Sandeep Singh*, and Raj Kumar*, “Design, Synthesis, Biological Evaluation of 3,5-diaryl-4,5-dihydro-1H-pyrazole carbaldehydes as Non-purine Xanthine Oxidase Inhibitors: Tracing the Anticancer Mechanism via Xanthine Oxidase Inhibition”, Bioorganic Chemistry (2021), 107, 104620. (PMID: 33454509). https://doi.org/10.1016/j.bioorg.2020.104620
30.
Isaac J. Powell*, Sreenivasa R. Chinni, Sunil S Reddy, Alexander Zaslavsky and Navnath Gavande*, “Pro-inflammatory cytokines and chemokines initiate multiple prostate cancer biologic pathways of cellular proliferation, heterogeneity and metastasis in a racially diverse population and underlie the genetic/biologic mechanism of racial disparity: Update”, Urologic Oncology (2021), 39, 34-40. (PMID: 32900629). http://dx.doi.org/10.1016/j.urolonc.2020.08.019
29.
Navnath S. Gavande*, Pamela S. VandeVere-Carozza, Katherine S. Pawelczak, Tyler L. Vernon, Les Hanakahi, Matthew Summerlin, Joseph Dynlacht, Annabelle H. Farmer, Catherine R Sears, Nawar Al Nasrallah, Joy Garrett,and John J. Turchi*, “Discovery and Development of DNA-PK Inhibitors by Targeting the Ku70/80 Protein-DNA Interaction”, Nucleic acids Research (2020), 20, 11536-11550. (PMID: 33119767). https://doi.org/10.1093/nar/gkaa934
28.
Xiaohong Mary Zhang*, Navnath S. Gavande, Prahlad Parajuli, Gerold Bepler*, “Implications of the USP10-HDAC6 axis in lung cancer-a path to precision medicine”, Journal of Cancer Biology (2020), 2 (1), 1-5. (PMID: 34746935). http://dx.doi.org/10.46439/cancerbiology.2.015
27.
Navnath S. Gavande*, Pamela VanderVere-Carozza, Tyler L. Vernon, Katherine S. Pawelczak, Matthew R. Jordan, and John J. Turchi*, “Structure-Guided Optimization of Replication Protein A (RPA)-DNA Interaction Inhibitors”, ACS Medicinal Chemistry Letters (2020), 11, 1118-1124. (PMID: 32550990). https://doi.org/10.1021/acsmedchemlett.9b00440. **Chosen as the Feature Cover Article.
26.
Andrew N. Clarkson* et. al., Navnath Gavande, Philip K. Ahring, Jane R. Hanrahan, and Mary Chebib, “The Flavonoid, 2′-Methoxy-6-methylflavone, affords Neuroprotection following Focal Cerebral Ischaemia”, Journal of Cerebral Blood Flow and Metabolism (2019), 39, 1266-1282. (PMID: 29376464). http://dx.doi.org/10.1177/0271678X18755628
25.
Katherine S. Pawelczak*, Navnath S. Gavande, Pamela VanderVere-Carozza and John J. Turchi, “Modulating DNA Repair Pathways to Improve Precision Genome Engineering”, ACS xChemical Biology (2018), 13, 389-396. (a Special Issue on the Chemical Biology of CRISPR). (PMID: 29210569). http://pubs.acs.org/doi/abs/10.1021/acschembio.7b00777
24.
Nasiara Karim*, Heba Abdelhalim, Navnath Gavande, Imran Khan, and Haroon Khan. “Natural Products as an Emerging Therapeutic Alternative in the Treatment of Neurological Disorders”, Edited Special Issue for Evidence-Based Complementary and Alternative Medicine Journal (2018). (PMID: 29849700). http://dx.doi.org/10.1155/2018/3056847
23.
Navnath S. Gavande*, Pamela VanderVere-Carozza, Akaash K. Mishra, Katherine S. Pawelczak, and John J. Turchi*, “Design and Structure-guided Development of Novel and Potent Inhibitors of the Xeroderma Pigmentosum Group A (XPA) Protein-DNA Interaction”, Journal of Medicinal Chemistry (2017), 60, 8055-8070. (PMID: 28933851). http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.7b00780
22.
Nasiara Karim*, Imran Khan, Naveed Ahmad, Muhammad Naveed Umar and Navnath Gavande, “Antidepressant, Anticonvulsant and Antinociceptive Effects of 3′-Methoxy-6-methylflavone and 3′-Hydroxy-6-methylflavone may involve GABAergic Mechanisms”, Pharmacological Reports (2017), 69, 1014-1020. (PMID: 28943291). http://dx.doi.org/10.1016/j.pharep.2017.03.001
21.
Navnath S. Gavande, Pamela S. VanderVere-Carozza, Hilary D. Hinshaw, Shadia I. Jalal, Catherine R. Sears, Katherine S. Pawelczak and John J. Turchi*, “DNA Repair Targeted Therapy: The Past or Future of Cancer Treatment?”, Pharmacology and Therapeutics (2016), 160, 65-83. (PMID: 26896565). http://dx.doi.org/10.1016/j.pharmthera.2016.02.003
20.
Debananda Das*, Kenji Maeda, Yasuhiro Hayashi, Navnath Gavande, Darshan Desai, Simon Chang, Arun K Ghosh and Hiroaki Mitsuya, “Insights into the Mechanism of Inhibition of CXCR4: Identification of Piperidinylethanamine Analogs as Anti-HIV-1 Inhibitors”, Antimicrobial Agents and Chemotherapy (2015), 59, 1895-1904. (PMID: 25583709). http://dx.doi.org/10.1128/AAC.04654-14
19.
Robert Stephenson, Marcus Hosler, Navnath Gavande, Arun K Ghosh and Vikki Weake*, “Characterization of a Drosophila Ortholog of the Cdc7 Kinase: A Role for Cdc7 in Endoreplication Independent of Chiffon”, Journal of Biological Chemistry (2015), 290, 1332-1347. (PMID: 25451925). http://dx.doi.org/10.1074/jbc.M114.597948
18.
Navnath Gavande, Hye-Lim Kim, Munikumar R. Doddareddy, Graham A. R. Johnston, Mary Chebib and Jane R. Hanrahan, “Design, Synthesis and Pharmacological Evaluation of Fluorescent and Biotinylated Antagonists of ρ1 GABAC Receptors”, ACS Medicinal Chemistry Letters (2013), 4, 402-407. (PMID: 24900684). http://pubs.acs.org/doi/abs/10.1021/ml300476v
17.
Azadeh Matin, Munikumar R. Doddareddy, Navnath Gavande, Srinivas Nammi, Paul Groundwater, Rebecca Roubin, David E. Hibbs*, “The Discovery of Novel Isoflavone Pan Peroxisome Proliferator-activated Receptor Agonists”, Bioorganic and Medicinal Chemistry (2013), 21, 766-771. (PMID: 23265844). http://dx.doi.org/10.1016/j.bmc.2012.11.040
16.
Arun K Ghosh*, Kalapala Venkateswara Rao, Navnath D. Yadav, David D. Anderson, Navnath Gavande, Xianping Huang, Simon Tarzyan and Jordan Tang, “Structure-Based Design of Highly Selective β-Secretase Inhibitors: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Crystal Structure”**, Journal of Medicinal Chemistry (2012), 55, 9195-9207. (PMID: 22954357). http://pubs.acs.org/doi/abs/10.1021/jm3008823.
**This work was highlighted in DementiaToday and Purdue News Magazine in October 2012. http://www.purdue.edu/newsroom/releases/2012/Q4/purdue-designed-molecule-one-step-closer-to-possible-alzheimers-treatment.html
15.
Izumi Yamamoto, Nathan Absalom, Jane E. Carland, Munikumar R. Doddareddy, Navnath Gavande, Graham Johnston, Jane Hanrahan and Mary Chebib*, “Differentiating Enantioselective Actions of GABOB: A Possible Role for Threonine 244 in the Binding Site of GABAC ρ1 receptors”, ACS Chemical Neuroscience, (2012), 3, 665-673. (PMID: 23019493). http://pubs.acs.org/doi/abs/10.1021/cn3000229
14.
Izumi Yamamoto, Jane Carland, Katherine Locock, Navnath Gavande, Nathan Absalom, Jane R. Hanrahan, Robin Allan, Graham A. R. Johnston and Mary Chebib*, “Structurally Diverse GABA Antagonists Interact Differently with Open and Closed Conformational States of the ρ1 Receptor”, ACS Chemical Neuroscience (2012), 3, 293-301. (PMID: 22860195). http://pubs.acs.org/doi/abs/10.1021/cn200121r
13.
Nasiara Karim, John Curmi, Navnath Gavande, Graham A. R. Johnston, Jane R. Hanrahan, M Louise Tierney and Mary Chebib*, “2′-Methoxy-6-methylflavone: A Novel Anxiolytic and Sedative with Subtype Selective Activating and Modulating Actions at GABAA Receptors”, British Journal of Pharmacology (2012), 165, 880-896. (PMID: 21797842). http://dx.doi.org/10.1111/j.1476-5381.2011.01604.x
12.
Izumi Yamamoto, Meredith Jordan, Navnath Gavande, Munikumar R. Doddareddy, Graham A. R. Johnston, Mary Chebib and Luke Hunter*, “The Enantiomers of syn-2,3-Difluoro-γ-aminobutyric acid elicit Opposite Responses at the GABAC Receptor”, Chemical Communications (2012), 48, 829-831. (PMID: 22143050). http://dx.doi.org/10.1039/C1CC15816C
11.
Navnath Gavande, Izumi Yamamoto, Noeris Salam, Tu-Hoa Ai, Peter Burden, Graham A. R. Johnston, Jane R. Hanrahan and Mary Chebib*, “Novel Cyclic Phosphinic acids as GABAC ρ1 Receptor Antagonists: Design, Synthesis and Pharmacology”, ACS Medicinal Chemistry Letters (2011), 2, 11-16. (PMID: 24900248). http://pubs.acs.org/doi/abs/10.1021/ml100134
10.
Izumi Yamamoto, Gildas Deniau, Navnath Gavande, Mary Chebib, Graham A. R. Johnston and David O’Hagen*, “Agonist Responses of (R)- and (S)-3-Fluoro-γ-aminobutyric Acids Suggest an Enantiomeric Fold for GABA Binding to GABAC Receptors”, Chemical Communications (2011), 47, 7956-7958. (PMID: 21670807). http://dx.doi.org/10.1039/c1cc12141c
9.
Navnath Gavande, Nasiara Karim, Graham A. R. Johnston, Jane R. Hanrahan and Mary Chebib*, “Identification of Benzopyran-4-one Derivatives (Isoflavones) as Positive Modulators of GABAA Receptors”,** ChemMedChem (2011), 6, 1340-1346. (PMID: 21560249). http://dx.doi.org/10.1002/cmdc.201100120
**Selected as Very Important Paper (VIP) and also selected for the cover picture of the journal. Recognized as top ten, most accessed and hottest paper in Medicinal chemistry (2011-2012)
8.
Nasiara Karim, Navnath Gavande, Petrine Wellendorph, Graham A.R. Johnston, Jane R. Hanrahan, Mary Chebib*, “3-Hydroxy-2’-methoxy-6-methylflavone: A Potent Anxiolytic with a unique Selectivity Profile at GABAA Receptor Subtypes”, Biochemical Pharmacology (2011), 82, 1971-1983. (PMID: 21924247). http://dx.doi.org/10.1016/j.bcp.2011.09.00
7.
Clarissa Ng, Hye-lim Kim, Navnath Gavande, Izumi Yamamoto, Rohan J. Kumar, Kenneth N. Mewett, Graham A. R. Johnston, Jane R. Hanrahan and Mary Chebib*, ”Medicinal Chemistry of ρ1 GABAC Receptors” (Review) Special issue on GABAergic Drugs”, Future Medicinal Chemistry (2011), 3, 197-209. http://dx.doi.org/10.4155/fmc.10.286
6.
Navnath Gavande, Graham A. R. Johnston, Jane R. Hanrahan* and Mary Chebib*, “Microwave-enhanced Synthesis of 2,3,6-Trisubstituted Pyridazines: Application to Four-Step Synthesis of Gabazine (SR-95531)”, Organic and Biomolecular Chemistry (2010), 8, 4131-4136. (PMID: 20657924). http://dx.doi.org/10.1039/c0ob00004c
5.
Srinivas Nammi*, Moon S. Kim, Navnath S. Gavande, George Q. Li and Basil D. Roufogalis, “Regulation of Low-Density Lipoprotein Receptor and 3-Hydroxy-3-Methylglutaryl Coenzyme A Reductase Expression by Zingiber officinale in the Liver of High-Fat Diet-Fed Rats”, Basic and Clinical Pharmacology and Toxicology (2010), 106, 389-395. (PMID: 20002065). http://dx.doi.org/10.1111/j.1742-7843.2009.00497.x
4.
Navnath Gavande†, Azadeh Matin†, Moon S. Kim, Nancy X. Yang, Noeris K. Salam, Jane R. Hanrahan, Rebecca H. Roubin and David E. Hibbs*, “7-Hydroxy-benzopyran-4-one Derivatives: A Novel Pharmacophore of Peroxisome Proliferator-Activated Receptor α and -γ (PPAR α and γ) Dual Agonists”, Journal of Medicinal Chemistry (2009), 52, 6835-6850. (PMID: 19807106). http://pubs.acs.org/doi/abs/10.1021/jm900964r. †These two authors contributed equally.
3.
Mary Chebib*, Navnath Gavande, Kit Y. Wong, Anna Park, Isabella Premoli, Kenneth N. Mewett, Robin D. Allan, Rujee K. Duke, Graham A. R. Johnston and Jane R. Hanrahan, “Guanidino Acids act as ρ1 GABAC Receptor Antagonists”, Neurochemical Research (2009), 34, 1704-1711. (PMID: 19387831). http://dx.doi.org/10.1007/s11064-009-9968-x
2.
Navnath S. Gavande, Sonia Kundu, Naresh S. Badgujar, Gurmeet Kaur and Asit K. Chakraborti*, “Ph2S2-CaH2 in N-Methyl-2-pyrrolidone as an Efficient Protocol for Chemoselective Cleavage of Aryl Alkyl Ethers”, Tetrahedron (2006), 62, 4201-4204. http://dx.doi.org/10.1016/j.tet.2006.02.013
1.
Navnath Gavande*, “LC-NMR in Drug Discovery”, Express Pharma Pulse (Dec 2, 2004), 77-78.
Book Chapters
2.
Jeremy M. Kelm, Hariprasad Aruri, Prasanth R. Nyalapatla and Navnath S. Gavande* Chapter 6. Benzene Fused Pyrimidine-Based Derivatives and their Biological Properties, Academic Press (Elsevier), 2021-22
1.
Navnath S. Gavande, Pamela S. VanderVere-Carozza, Katherine S. Pawelczak and John J. Turchi, “DNA Repair in Cancer Therapy: Molecular Targets and Clinical Applications”, 2nd Edition edited by Mark Kelley and Melissa Fishel, Chapter 5: Targeting the Nucleotide Excision Repair Pathway for Therapeutic Applications. Academic Press (Elsevier), June 23, 2016.