Publications

1. Tanwar N, Ojha R, Aggarwal S, Prajapati V, Munde M. Design of Inhibitor Peptide Sequences Based on the Interfacial Knowledge of the Protein G-IgG Crystallographic Complex and their Binding Studies with IgG, European Biophysics Journal, 2024 (accepted).

2. Gupta S, Aggarwal S, Munde M. New Insights into the Role of Ligand Binding Modes in GC-DNA Condensation through Thermodynamic and Spectroscopic Study” ACS Omega, 8, 4554-4565, 2023. 

3. Aggarwal S, Tanwar N, Singh A, Munde M. Formation of Protamine and Zn-Insulin Assembly: Exploring Biophysical Consequences. ACS Omega. 7, 41044-41057, 2022. 

4. Tiwari N., Mishra R, Gupta S, Srivastava R, Aggarwal S, Bandopadhyay P, Munde M., Synthetic Tunability and Biophysical Basis for Fabricating Highly Fluorescent and Stable DNA Copper Nanoclusters Langmuir, 37, 9385-9395, 2021. 

5. Hooda P, Ishtikhar M, Saraswat S, Bhatia P, Mishra D, Trivedi A, Kulandaisamy R, Aggarwal S, Munde M, Ali N, AlAsmari AF, Rauf MA, Inampudi KK, Sehgal D. Biochemical and Biophysical Characterization of the Hepatitis E Virus Guanine-7-Methyltransferase, Molecules. 2022, 27, 1505.

6. Gupta S, Tiwari N, Verma J, Waseem M, Subbarao N, Munde M. Estimation of Stronger Heparin Binding Locus in Fibronectin Domain III14 using Thermodynamic and Molecular Dynamic Study. RSC Adv, 10, 20288-20301, 2020. 

7. Jain R, Dey P, Gupta S, Pati S, Bhattacherjee A, Munde M, Singh S "Molecular dynamics simulations and biochemical characterization of Pf14-3-3 and PfCDPK1 interaction towards its role in growth of human malaria parasite" Biochem J, 2020, 477 (12): 2153–2177.

8. Kandari D, Joshi H, Tanwar N, Munde M, Bhatnagar R, Delineation of the Residues of Bacillus anthracis Zinc Uptake Regulator Protein Directly Involved in Its Interaction with Cognate DNA. Biol Trace Elem Res. 199, 3147-3158, 2021. (IF: 3.78)

9. Jain R, Gupta S, Munde M, Pati S, Singh S, Development of Novel Anti-Malarial From Structurally Diverse Library of Molecules, Targeting Plant-Like CDPK1, a Multistage Growth Regulator of P. Falciparum, Biochem J, 477, 1951-1970, 2020.

10. Anam Z, Joshi N, Gupta S, Yadav P, Chaurasiya A, Kaur A, Kaushik S., Munde M, Ranganathan A, Singh S, denovo peptide from a high throughput peptide library blocks Myosin A -MTIP complex formation in Plasmodium falciparum. International Journal Molecular Sciences, 21, 6158, 2020.

11. Tandon S, Manhas R, Tiwari N, Munde M, Vijayan R, Gourinath S, Muthuswami R, Madhubala R, Deciphering the interaction of benzoxaborole inhibitor AN2690 with connective polypeptide 1 (CP1) editing domain of Leishmaniadonovani leucyl-tRNA synthetase, Journal of Biosciences, 2020, 45, 63. 

12. Gogoi H, Mani R. Soumya A. Malik A., Munde M, Bhatnagar R. Crystalline and Amorphous Preparation of Aluminum Hydroxide Nanoparticles Enhances Protective Antigen Domain 4 Specific Immunogenicity and Provides Protection Against Anthrax International Journal of Nanomedicine, 2020 15 239–252. 

13. Gupta S, Tiwari N, Munde M. A Comprehensive Biophysical Analysis of the Effect of DNA binding Drugs on Protamine-induced DNA Condensation Scientific Reports, 2019, 9, 5891. 

14. Joshi H, Malik A, Aggarwal S, Munde M, Maitra SS, Adlakha N, Bhatnagar R. In-vitro Detection of Phytopathogenic Fungal Cell Wall by Polyclonal Sera Raised Against Trimethyl Chitosan Nanoparticles. International Journal of Nanomedicine. 2019,14, 10023-10033. 

15. Chadha S, Vijayan R, Gupta S, Munde M, Gourinath S, Madhubala R, Genetic Manipulation of Leishmania donovani Threonyl tRNA Synthetase Facilitates its Exploration as a Potential Therapeutic Target" PLOS Neglected Tropical Diseases 2018, 12, e0006575 

16. Reetika Manhas, Smriti Tandon, Shib Sen, Neha Tiwari, Manoj Munde, Rentala Madhubala Leishmania parasites are inhibited by the benzoxaborole AN2690 targeting leucyl-tRNA synthetase" Antimicrobial Agents and Chemotherapy 2018, 2, e00079-18  

17. Tiwari N, Tanwar N, Munde M. Molecular insights into trypanothione reductase-inhibitor interaction: A structure-based review. Arch Pharm. 2018, 351 (6), 1700373  

18. Tanwar N, Munde M. Thermodynamic and conformational analysis of the interaction between antibody binding proteins and IgG. Int J Biol Macromol. 2018, 112:1084-1092. 

19. Tiwari N, Srivastava A, Kundu B, Munde M. Biophysical insight into the heparin-peptide interaction and its modulation by a small molecule. J Mol Recognit. 2018, 31, e2674

20. Pasari N, Adlakha N, Gupta M, Bashir Z, Rajacharya GH, Verma G, Munde M, Bhatnagar R, Yazdani SS. Impact of Module-X2 and Carbohydrate Binding Module-3 on the catalytic activity of associated glycoside hydrolases towards plant biomass. Sci Rep. 2017, 7, 3700.  

Before JNU

21. Mechanistic Heterogeneity in Site Recognition by the Structurally Homologous DNA-Binding Domains of the ETS-Family Transcription Factors Ets-1 and PU.1 Sang S, Linde MH, Carvalho V, Munde M,  Wilson WD,  Poon G,  Journal of Biological Chemistry (2014), 289, 21605-16 

22. An Unusual Monomer Recognition of Guanine Containing Mixed Sequence DNA by a Dithiophene Heterocyclic Diamidine. Munde M, Kumar A, Peixoto P, Depauw S, Ismail MA, Farahat AA, Paul A, Say MV, David-Cordonnier MH, Boykin DW, Wilson WD. Biochemistry (2014) 53, 1218-27 

23. Structure-dependent inhibition of the ETS-family transcription factor PU.1 by novel heterocyclic diamidines Munde M, Wang S, Kumar A, Stephens CE, Abdelbasset A. Farahat, Boykin DW, Wilson WD, Poon GM. Nucleic Acid Research (2014) 42, 1379-90

24. Green fluorescent diamidines as diagnostic probes for trypanosomes. Giordani F, Munde M, Wilson WD, Ismail MA, Kumar A, Boykin DW, Barrett MP. Antimicrob Agents Chemother. (2013) 58,1793-6. Structure-dependent 

25. Structure dependent binding of Arylimidamides to the DNA Minor Groove. Chai Y., Munde M., Kumar A., Mickelson L., Lin S., Campbell NH, Banerjee M., Akay S., Liu Z., Farahat AA, Nhili R., Depauw S., David-Cordonnier MH, Neidle S, Boykin DW, Wilson WD ChemBioChem. (2013) 15, 68-79 

26. Probing the electrostatics and pharmacologic modulation of sequence-specific binding by the DNA-binding domain of the ETS-family transcription factor PU.1: a binding affinity and kinetics investigation. Munde M, Poon GM, Wilson WD. J Mol Biol. 425, 1455-59 (2013).    

27. On and off-target effects of telomere uncapping G-quadruplex selective ligands based on pentacyclic acridinium salts. Iachettini S., Malcolm FG Stevens, Frigerio M., Hummersone M. G., Hutchinson I., Garner T. P., Searle M. S., Wilson D. W., Munde M., Nanjunda R., D’Angelo C., Zizza P., Rizzo A., Cingolani C., Cicco F. D., Porru M., D’Incalci M., Leonetti C., Biroccio A., Salvati E. Journal of Experimental & Clinical Cancer Research (2013), 32:68 

28. Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza analogues. Hu L, Patel A, Bondada L, Yang S, Wang MZ, Munde M, Wilson WD, Wenzler T, Brun R, Boykin DW. Bioorg Med Chem. (2013) 21, 6732-41 

29. Targeting the DNA binding activity of the human ERG transcription factor using new heterocyclic dithiophene diamidines. Nhili R, Peixoto P, Depauw S, Flajollet S, Dezitter X, Munde M, Ismail MA, Kumar A, Farahat AA, Stephens CE, Duterque-Coquillaud M, Wilson, WD, Boykin DW, David-Cordonnier MH   Nucleic Acid Research 41, 125-38 (2012).

30. 8,8-Dialkyldihydroberberines with Potent Antiprotozoal Activity. Endeshaw M, Zhu X, He S, Pandharkar T, Cason E, Mahasenan KV, Agarwal H, Li C, Munde M, Wilson WD, Bahar M, Doskotch RW, Kinghorn AD, Kaiser M, Brun R, Drew ME, Werbovetz KA. J Nat Prod. 76, 311-5 (2012) 

31. Synthesis, DNA binding and antileishmanial activity of low molecular weight bis-arylimidamides. Banerjee, M., Farahat, A. A., Kumar, A., Wenzler, T., Burn, R., Munde, M., Wilson, W. D., Zu, X., Werbovetz, K.A., Boykin, D. W.  Eur J Med Chem. 55, 449-54 (2012) 

32. Microscopic Rearrangement of Bound Minor Groove Binders Detected by NMR. Rettig, M; Germann, M; Ismail, M; Batista-Parra, A; Munde, M; Boykin, D; Wilson, W. J. Phy. Chem. 116, 5620–5627. (2012)  

33. Evaluation of arylimidamides DB1955 and DB1960 as candidates against visceral leishmaniasis and Chagas' disease: in vivo efficacy, acute toxicity, pharmacokinetics, and toxicology studies. Zhu, X., Liu, Q., Yang, S., Parman, T., Green, C. E., Mirsalis, J.C., Soeiro, M.D., Souza, E.M.,Silva CF, Batista DD, Stephens CE, Banerjee, M., Farahat, A.A., Munde, M., Wilson,W.D, Boykin, D.W., Wang, M.Z., Werbovetz, K.A., Antimicrob Agents Chemother. 56, 3690-9. (2012) 

34. Complexity in the binding of minor groove agents: netropsin has two thermodynamically different DNA binding modes at a single site. Lewis, E. A., Munde, M., Wang, S., Rettig, M., Le, V., Machha, V., and Wilson, W. D., Nucleic Acids Res 39, 9649-58. (2011) 

35. The trypanocidal activity of amidine compounds does not correlate with their binding affinity to Trypanosoma cruzi kinetoplast DNA. Daliry, A., Pires, M. Q., Silva, C. F., Pacheco, R. S., Munde, M., Stephens, C. E., Kumar, A., Ismail, M. A., Liu, Z., Farahat, A. A., Akay, S., Som, P., Hu, Q., Boykin, D. W., Wilson, W. D., De Castro, S. L., and Soeiro, M. N. Antimicrob Agents Chemother 55, 4765-4773 (2011).    

36. Wang, S., Munde, M., and Wilson, W. D. Minor groove to major groove, an unusual DNA sequence-dependent change in bend directionality by a distamycin dimer, Biochemistry 50, 7674-7683 (2011). 

37. Induced topological changes in DNA complexes: influence of DNA sequences and small molecule structures. Hunt, R. A., Munde, M., Kumar, A., Ismail, M. A., Farahat, A. A., Arafa, R. K., Say, M., Batista-Parra, A., Tevis, D., Boykin, D. W., and Wilson, W. D. Nucleic Acids Res 39, 4265-4274 (2011). 

38. DNA minor groove induced dimerization of heterocyclic cations: compound structure, binding affinity, and specificity for a TTAA site. Munde, M., Kumar, A., Nhili, R., Depauw, S., David-Cordonnier, M. H., Ismail, M. A., Stephens, C. E., Farahat, A. A., Batista-Parra, A., Boykin, D. W., and Wilson, W. D., J Mol Biol 402, 847-864 (2010). (IF 4.63)

39. DNA recognition: design, synthesis and biophysical characteristics of pyrrole(H) based polyamides. Chavda, S., Mulder, K., Brown, T., Mackay, H., Babu, B., Westrate, L., Ferguson, A., Lin, S., Kiakos, K., Ramos, J. P., Munde, M., Wilson, W. D., Hartley, J. A., and Lee, M., Med Chem 6, 150-158 (2010).

40. Targeting the ICB2 site of the topoisomerase IIalpha promoter with a formamido-pyrrole-imidazole-pyrrole H-pin polyamide. Franks, A., Tronrud, C., Kiakos, K., Kluza, J., Munde, M., Brown, T., Mackay, H., Wilson, W. D., Hochhauser, D., Hartley, J. A., and Lee, M., Bioorg Med Chem 18, 5553-5561 (2010). 

41. Novel arylimidamides for treatment of visceral leishmaniasis. Wang, M. Z., Zhu, X., Srivastava, A., Liu, Q., Sweat, J. M., Pandharkar, T., Stephens, C. E., Riccio, E., Parman, T., Munde, M., Mandal, S., Madhubala, R., Tidwell, R. R., Wilson, W. D., Boykin, D. W., Hall, J. E., Kyle, D. E., and Werbovetz, K. A. Antimicrob Agents Chemother 54, 2507-2516 (2010) 

42. Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum. Hu, L., Arafa, R. K., Ismail, M. A., Patel, A., Munde, M., Wilson, W. D., Wenzler, T., Brun, R., and Boykin, D. W., Bioorg Med Chem 17, 6651-6658 (2009). 

43. Azaterphenyl diamidines as antileishmanial agents. Hu, L., Arafa, R. K., Ismail, M. A., Wenzler, T., Brun, R., Munde, M., Wilson, W. D., Nzimiro, S., Samyesudhas, S., Werbovetz, K. A., and Boykin, D. W., Bioorg Med Chem Lett 18, 247-251 (2008). 

44. Novel linear triaryl guanidines, N-substituted guanidines and potential prodrugs as antiprotozoal agents. Arafa, R. K., Ismail, M. A., Munde, M., Wilson, W. D., Wenzler, T., Brun, R., and Boykin, D. W., Eur J Med Chem 43, 2901-2908 (2008). 

45. Induced fit conformational changes of a reversed amidine heterocycle:optimized interactions in a DNA minor groove complex. Munde, M., Lee, M., Neidle, S., Arafa, R., Boykin, D. W., Liu, Y., Bailly, C., and Wilson, W. D., J Am Chem Soc 129, 5688-5698 (2007). 

46. Design of DNA minor groove binding diamidines that recognize GC base pair sequences: a dimeric-hinge interaction motif. Munde, M., Ismail, M. A., Arafa, R., Peixoto, P., Collar, C. J., Liu, Y., Hu, L., David-Cordonnier, M. H., Lansiaux, A., Bailly, C., Boykin, D. W., and Wilson, W. D., J Am Chem Soc 129, 13732-13743 (2007).  

47. Volumetric Properties of Aqueous 2 chloroethanol solutions and volume of transfer of some amino acids and peptides from Water to Aqueous 2-chloroethanol solutions. Munde M. M., Kishore, N. Journal of Solution Chemistry, 32, 791-802. (2003).