33. Parameswaran S, Choi S, Choi JH (2020) Temperature-induced remodeling of alcohol aggregates & water network in butanol aqueous solution towards phase separation. Phys Chem Chem Phys. (To be submitted).
32. Jung E, Parameswaran S, Choi JH … Ahn JH (2020) Discovery of peripheral selective oxadiazolylphenyl alanine derivatives as tryptophan hydroxylase 1 inhibitors for obesity and fatty liver disease. J. Med. Chem. (To be submitted).
31. Choi S, Parameswaran S*, Choi JH (2020) Understanding alcohol aggregates and water hydrogen bond network towards miscibility in alcohol solutions: graph theoretical analysis. Phys Chem Chem Phys. 22, 17181-17195.
30. Patra S, Parameswaran S, Das B, Subramanian V, Patra S. (2020) Scaffold based screening and molecular dynamics simulation study identifies two structurally related phenolic compound as potent MMP1 inhibitors. Comb Chem High Throughput Screen. 14:1122-1137.
29. Lee S, Sung DB, Kang S, Parameswaran S, … Han MS (2019) Development of human serum albumin selective fluorescent probe using thieno[3,2-b]pyridine-5(4h)-one fluorophore derivatives. Sensors 19, 5298.
28. Rana RM, … Parameswaran S, Park SJ, Lee KW (2019). In silico study probes potential inhibitors of human dihydrofolate reductase for cancer therapeutics. J Clin Med. 8:233.
27. Rampogu S, Parate S*, Parameswaran S*, ... Lee KW (2019). Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies. Comput Biol Chem. 83, 107113.
26. Kumar R, Parameswaran S*, Bavi R, ... Lee KW (2019). Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics. J Mol Graphics Modell. 88:92-103.
25. Zeb A, Kim D, Alam SI, Son M, Kumar R, Rampogu S, Parameswaran S, ... Lee KW (2019). Computational simulations identify pyrrolidine-2, 3-dione derivatives as novel inhibitors of Cdk5/p25 complex to attenuate alzheimer’s pathology. J Clin Med. 8(5), 746.
24. Rampogu S, Baek A, Park C, Parate S, Parameswaran S, … Lee KW (2019). Discovery of small molecules that target vascular endothelial growth factor receptor-2 signalling pathway employing molecular modelling studies. Cells 8:269.
23. Rampogu S, Parameswaran S*, Lemuel MR, Lee KW (2018). Exploring the therapeutic ability of fenugreek against type 2 diabetes and breast cancer employing molecular docking and molecular dynamics simulations. J Evid Based Complementary Altern Med. 2018:1943203.
22. Rampogu S, Son M, Baek A, Park C, Rana RM, Zeb A, Parameswaran S, ... Lee, KW (2018). Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches. Comput Biol Chem. 74:327-338.
21. Singh N, Parameswaran S, Thakur MS and Patra S. (2017) Development of xanthine based inhibitors targeting phosphodiesterase 9A. Lett Drug Des Disc. 14:1122-1137.
20. Parameswaran S, Patra S. (2016) Discovery of potential dual inhibitors against lipases Rv0183 and Rv3802c for tuberculosis therapeutics. Lett Drug Des Disc. 13:185-195.
19. Parameswaran S, Dubey VK, Patra S. (2014) Emulating structural stability of Pseudomonas mendocina lipase: in silico mutagenesis and molecular dynamics studies. J Mol Model. 20:2501.
18. Parameswaran S, Prakash S, Dubey VK, Patra S. (2014) Discovery of novel anti-leishmanial agents targeting LdLip3 lipase. J Mol Graphics Modell. 49:68-79.
17. Das DK, Sarkar S, Khan AT, Parameswaran S, Patra S. (2014) Synthesis of fused tetrahydropyrido[2,3-c]-coumarin derivatives as potential inhibitors for dopamine D3 receptors, catalyzed by hydrated ferric sulfate. RSC Advances 4:3581–3590.
16. Arvind A, Jain V, Parameswaran S, Mohan CG. (2013) Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification. Interdiscip Sci Comput Life Sci. 4:296-311.
15. Chakraborty D, Parameswaran S, Patra S, Dubey VK. (2013) Studies on ornithine decarboxylase of Leishmania donovani: structure modeling and inhibitor docking. Med Chem Res. 22(1):466-478.
14. Debamitra C, Sumit KS, Parameswaran S, Patra S. (2013) Design of lead peptide drugs from mushroom targeting cysteine proteases. Med Chem Res. 22(4):2038-2049.
13. Debamitra C, Parameswaran S, Dubey VK, Patra S. (2012) Unraveling the rationale behind organic solvent stability of lipases. Appl Biochem Biotech. 167(3):439-461.
12. Arvind A, Kumar V, Parameswaran S, Mohan CG. (2012) Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis. Interdiscip Sci Comput Life Sci. 4(3):223-238.
11. Parameswaran S, Avinash H, Dubey VK, Patra S. (2012) Targeting essential cell wall lipase Rv3802c for potential therapeutics against tuberculosis. J Mol Graphics Modell. 38:235-242. Invited for communication titled ‘Rv3802c in Tuberculosis Therapeutics’ on Omics International.
10. Parameswaran S, Dubey VK, Patra S. (2012) Potential selective inhibitors against Rv0183 of Mycobacterium tuberculosis targeting host lipid metabolism. Chem Biol Drug Des. 79(6):1056-1062. Featured as a key scientific article on the Global Medical Discovery website.
9. Khan AT, Lal M, Bagdi PR, Basha RS, Parameswaran S, Patra S. (2012) Synthesis of tetra-substituted pyrroles, a potential phosphodiesterase 4B inhibitor, through nickel(II) chloride hexahydrate catalyzed one-pot four-component reaction. Tetrahedron Lett. 53(82):4145-4150.
8. Debamitra C, Parameswaran S, Dubey VK, Patra S. (2011) In silico characterization of thermostable lipases. Extremophiles 15(1):89-103.
7. Jain V, Parameswaran S, Arvind A, Mohan CG. (2011) First pharmacophore model of CCR3 receptor antagonists and its homology model-assisted, stepwise virtual screening. Chem Biol Drug Des. 77(5):373-387.
6. Shikhar G, Adyary F, Mikko JV, Parameswaran S, … Mark JS, Pia V, Mohan, CG. (2011) Molecular docking guided comparative GFA, G/PLS, SVM and ANN models of structurally diverse dual binding site acetylcholinesterase inhibitors. Mol Inform. 30:689-706.
5. Parameswaran S, Alpana AT, Patra S. (2010) Deciphering role of amino acids for the stability of Staphylococcus aureus lipase (SAL3). Interdiscip Sci Comput Life Sci. 2(3):271-279.
4. Parameswaran S, Dubey VK, Patra S. (2010) In silico characterization of thermoactive, alkaline and detergent-stable lipase from Staphylococcus aureus strain. In Silico Biol. 10(5):265-276.
3. Parameswaran S, Santhosh KV, Mohan CG, Patra S, Dubey VK. (2010) Mitogen-activated protein kinase 4 of Leishmania parasite as a therapeutic target. European J Med Chem. 45(12):5662-5670.
2. Kumar V, Parameswaran S, Arvind A, Mohan CG. (2010) Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques. J Mol Model. 17(5):939-953.
1. Awale M, Kumar V, Parameswaran S, Mohan CG. (2010) Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors. J Mol Model. 16(3):475-88.
32. Jung E, Parameswaran S, Choi JH … Ahn JH (2020) Discovery of peripheral selective oxadiazolylphenyl alanine derivatives as tryptophan hydroxylase 1 inhibitors for obesity and fatty liver disease. J. Med. Chem. (To be submitted).
31. Choi S, Parameswaran S*, Choi JH (2020) Understanding alcohol aggregates and water hydrogen bond network towards miscibility in alcohol solutions: graph theoretical analysis. Phys Chem Chem Phys. 22, 17181-17195.
30. Patra S, Parameswaran S, Das B, Subramanian V, Patra S. (2020) Scaffold based screening and molecular dynamics simulation study identifies two structurally related phenolic compound as potent MMP1 inhibitors. Comb Chem High Throughput Screen. 14:1122-1137.
29. Lee S, Sung DB, Kang S, Parameswaran S, … Han MS (2019) Development of human serum albumin selective fluorescent probe using thieno[3,2-b]pyridine-5(4h)-one fluorophore derivatives. Sensors 19, 5298.
28. Rana RM, … Parameswaran S, Park SJ, Lee KW (2019). In silico study probes potential inhibitors of human dihydrofolate reductase for cancer therapeutics. J Clin Med. 8:233.
27. Rampogu S, Parate S*, Parameswaran S*, ... Lee KW (2019). Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies. Comput Biol Chem. 83, 107113.
26. Kumar R, Parameswaran S*, Bavi R, ... Lee KW (2019). Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics. J Mol Graphics Modell. 88:92-103.
25. Zeb A, Kim D, Alam SI, Son M, Kumar R, Rampogu S, Parameswaran S, ... Lee KW (2019). Computational simulations identify pyrrolidine-2, 3-dione derivatives as novel inhibitors of Cdk5/p25 complex to attenuate alzheimer’s pathology. J Clin Med. 8(5), 746.
24. Rampogu S, Baek A, Park C, Parate S, Parameswaran S, … Lee KW (2019). Discovery of small molecules that target vascular endothelial growth factor receptor-2 signalling pathway employing molecular modelling studies. Cells 8:269.
23. Rampogu S, Parameswaran S*, Lemuel MR, Lee KW (2018). Exploring the therapeutic ability of fenugreek against type 2 diabetes and breast cancer employing molecular docking and molecular dynamics simulations. J Evid Based Complementary Altern Med. 2018:1943203.
22. Rampogu S, Son M, Baek A, Park C, Rana RM, Zeb A, Parameswaran S, ... Lee, KW (2018). Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches. Comput Biol Chem. 74:327-338.
21. Singh N, Parameswaran S, Thakur MS and Patra S. (2017) Development of xanthine based inhibitors targeting phosphodiesterase 9A. Lett Drug Des Disc. 14:1122-1137.
20. Parameswaran S, Patra S. (2016) Discovery of potential dual inhibitors against lipases Rv0183 and Rv3802c for tuberculosis therapeutics. Lett Drug Des Disc. 13:185-195.
19. Parameswaran S, Dubey VK, Patra S. (2014) Emulating structural stability of Pseudomonas mendocina lipase: in silico mutagenesis and molecular dynamics studies. J Mol Model. 20:2501.
18. Parameswaran S, Prakash S, Dubey VK, Patra S. (2014) Discovery of novel anti-leishmanial agents targeting LdLip3 lipase. J Mol Graphics Modell. 49:68-79.
17. Das DK, Sarkar S, Khan AT, Parameswaran S, Patra S. (2014) Synthesis of fused tetrahydropyrido[2,3-c]-coumarin derivatives as potential inhibitors for dopamine D3 receptors, catalyzed by hydrated ferric sulfate. RSC Advances 4:3581–3590.
16. Arvind A, Jain V, Parameswaran S, Mohan CG. (2013) Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification. Interdiscip Sci Comput Life Sci. 4:296-311.
15. Chakraborty D, Parameswaran S, Patra S, Dubey VK. (2013) Studies on ornithine decarboxylase of Leishmania donovani: structure modeling and inhibitor docking. Med Chem Res. 22(1):466-478.
14. Debamitra C, Sumit KS, Parameswaran S, Patra S. (2013) Design of lead peptide drugs from mushroom targeting cysteine proteases. Med Chem Res. 22(4):2038-2049.
13. Debamitra C, Parameswaran S, Dubey VK, Patra S. (2012) Unraveling the rationale behind organic solvent stability of lipases. Appl Biochem Biotech. 167(3):439-461.
12. Arvind A, Kumar V, Parameswaran S, Mohan CG. (2012) Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis. Interdiscip Sci Comput Life Sci. 4(3):223-238.
11. Parameswaran S, Avinash H, Dubey VK, Patra S. (2012) Targeting essential cell wall lipase Rv3802c for potential therapeutics against tuberculosis. J Mol Graphics Modell. 38:235-242. Invited for communication titled ‘Rv3802c in Tuberculosis Therapeutics’ on Omics International.
10. Parameswaran S, Dubey VK, Patra S. (2012) Potential selective inhibitors against Rv0183 of Mycobacterium tuberculosis targeting host lipid metabolism. Chem Biol Drug Des. 79(6):1056-1062. Featured as a key scientific article on the Global Medical Discovery website.
9. Khan AT, Lal M, Bagdi PR, Basha RS, Parameswaran S, Patra S. (2012) Synthesis of tetra-substituted pyrroles, a potential phosphodiesterase 4B inhibitor, through nickel(II) chloride hexahydrate catalyzed one-pot four-component reaction. Tetrahedron Lett. 53(82):4145-4150.
8. Debamitra C, Parameswaran S, Dubey VK, Patra S. (2011) In silico characterization of thermostable lipases. Extremophiles 15(1):89-103.
7. Jain V, Parameswaran S, Arvind A, Mohan CG. (2011) First pharmacophore model of CCR3 receptor antagonists and its homology model-assisted, stepwise virtual screening. Chem Biol Drug Des. 77(5):373-387.
6. Shikhar G, Adyary F, Mikko JV, Parameswaran S, … Mark JS, Pia V, Mohan, CG. (2011) Molecular docking guided comparative GFA, G/PLS, SVM and ANN models of structurally diverse dual binding site acetylcholinesterase inhibitors. Mol Inform. 30:689-706.
5. Parameswaran S, Alpana AT, Patra S. (2010) Deciphering role of amino acids for the stability of Staphylococcus aureus lipase (SAL3). Interdiscip Sci Comput Life Sci. 2(3):271-279.
4. Parameswaran S, Dubey VK, Patra S. (2010) In silico characterization of thermoactive, alkaline and detergent-stable lipase from Staphylococcus aureus strain. In Silico Biol. 10(5):265-276.
3. Parameswaran S, Santhosh KV, Mohan CG, Patra S, Dubey VK. (2010) Mitogen-activated protein kinase 4 of Leishmania parasite as a therapeutic target. European J Med Chem. 45(12):5662-5670.
2. Kumar V, Parameswaran S, Arvind A, Mohan CG. (2010) Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques. J Mol Model. 17(5):939-953.
1. Awale M, Kumar V, Parameswaran S, Mohan CG. (2010) Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors. J Mol Model. 16(3):475-88.