• ट्रांसलेशनल हेल्थ साइंस एंड टेक्नोलॉजी इंस्टीट्यूट
  • TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE
    AN INSTITUTE OF BIOTECHNOLOGY RESEARCH AND INNOVATION COUNCIL
    DEPT. OF BIOTECHNOLOGY, MINISTRY OF SCIENCE AND TECHNOLOGY
    GOVT OF INDIA
  • होम
  • संकाय प्रोफ़ाइल
Publication

Research Articles:

  1. Verma, R. K., Lokhande, K. B., Shirvastava, P. K., Singh, A. Machine learning; Feature selection methods; Beta-1,4-N-acetylgalactosaminyltransferase 1; molecular dynamics simulation; Survival analysis. Informatics in Medicine Unlocked. 48, 101514. https://doi.org/10.1016/j.imu.2024.101514
  2. Puranik, H. H., Thomas, A. B., Lokhande, K. B., Shrivatsava, S., Singh, A., Swamy, K. V., Chitlange, S. S. Exploring the DPP IV Inhibitory Potential: Molecular Docking and Dynamic Simulations of Pyridine-3-Carboxylic Acid and Pyrrolidine-23 Carboxylic Acid Analogs. Journal of biomolecular structure & dynamics. [Accepted: 05 April 2024].
  3. Raj, A. K., Lokhande, K. B., Khunteta, K., Sarode, S. C., & Sharma, N. K. (2024). Elevated N1-Acetylspermidine Levels in Doxorubicin-treated MCF-7 Cancer Cells: Histone Deacetylase 10 Inhibition with an N1-Acetylspermidine Mimetic. Journal of cancer prevention, 29(2), 32–44. https://doi.org/10.15430/JCP.24.002
  4. Singh, I. A., Lokhande, K. B., & Swamy, K. V. (2024). Exploring the anticancer potential of fluoro flavone analogues: insights from molecular docking and dynamics studies with Aurora Kinase B. In silico pharmacology, 12(1), 26. https://doi.org/10.1007/s40203-024-00200-9
  5. Thomas, A., Shinde, S., Wavhale, R., Jadhav, P., Tambe, S., Lokhande, K., & Chitlange, S. (2024). In-silico screening of phytomolecules against multiple targets for wound management. In silico pharmacology, 12(1), 19. https://doi.org/10.1007/s40203-024-00194-4
  6. Shrivastava, A., Magani, S. K. J., Lokhande, K. B., Chintakhindi, M., & Singh, A. (2024). Exploring the role of TLK2 mutation in tropical calcific pancreatitis: an in silico and molecular dynamics simulation study. Journal of biomolecular structure & dynamics, 1–20. Advance online publication. https://doi.org/10.1080/07391102.2024.2329797   
  7. Jain, A., Lokhande, K. B., & Singh, A. (2024). Breaking the'undruggable'barrier: Revealing molecular mechanisms in Aurora Kinase A/Myc protein interplay targeting cancers. Medical Hypotheses, 111320. https://doi.org/10.1016/j.mehy.2024.111320
  8. Lokhande, K. B., Shrivastava, A., & Singh, A. (2024). Unveiling novel therapeutic avenues: Targeting the cyclin D/CDK4 axis for enhanced cancer treatment. Medical Hypotheses, 111313. https://doi.org/10.1016/j.mehy.2024.111313
  9. Shinde, S., Wavhale, R., Jadhav, P., Tambe, S., Lokhande, K. B., Chitlange, S., Thomas, S. (2024). In-Silico Screening of Phytomolecules Against Multiple Targets forWound Management. In Silico Pharmacology. Accepted.
  10. Singh, I., Lokhande, K. B., & Swamy, K. V. (2024). Exploring the Anticancer Potential of Fluoro Flavone Analogues: Insights from Molecular Docking and Dynamics Studies with Aurora Kinase B. In Silico Pharmacology. Accepted.
  11. Lokhande, K. B., Shrivastava, A., & Singh, A. (2024). Unveiling novel therapeutic avenues: Targeting the cyclinD/CDK4 axis for enhanced cancer treatment. Medical Hypotheses, 111313. https://doi.org/10.1016/j.mehy.2024.111313
  12. Nandangiri, R., T N, S., Raj, A. K., Lokhande, K. B., Khunteta, K., Hebale, A., Kothari, H., Patel, V., Sarode, S. C., & Sharma, N. K. (2024). Secretion of Sphinganine by Drug-Induced Cancer Cells and Modified Mimetic Sphinganine (MMS) as c-Src Kinase Inhibitor. Asian Pacific journal of cancer prevention: APJCP, 25(2), 433–446. https://doi.org/10.31557/APJCP.2024.25.2.433
  13. Kumar, P., Kumar, P., Shrivastava, A., Dar, M. A., Lokhande, K. B., Singh, N., Singh, A., Velayutham, R., & Mandal, D. (2023). Immunoinformatics-based multi-epitope containing fused polypeptide vaccine design against visceral leishmaniasis with high immunogenicity and TLR binding. International journal of biological macromolecules, 253(Pt 8), 127567. https://doi.org/10.1016/j.ijbiomac.2023.127567
  14. Bhatkar, D., Ananda, N., Lokhande, K. B., Khunteta, K., Jain, P., Hebale, A., Sarode, S. C., & Sharma, N. K. (2023). Organic Acids Derived from Saliva-amalgamated BetelQuid Filtrate Are Predicted as a Ten-eleven Translocation-2 Inhibitor. Journal of cancer prevention, 28(3), 115–130. https://doi.org/10.15430/JCP.2023.28.3.115
  15. Bhatkar, D., Nimburkar, D., Raj, A. K., Lokhande, K. B., Khunteta, K., Kothari, H., Joshi, M., Sarode, S. C., & Sharma, N. K. (2023). Reduced Level of Prolylhydroxyproline in the Nail Clippings of Oral Cancer Patients and its Role as an Activator of Phospholipase CBeta2. Current protein & peptide science, 24(8), 684–699. https://doi.org/10.2174/1389203724666230810094615
  16. Lokhande, K. B.,Kale, A., Sahakar, B., Shrivastava, A., Nawani, N., Swamy, K. V., Singh, A., Pawar, S. V. (2023). Terpenoid phytocompounds from mangrove plant Xylocarpus moluccensis as possible inhibitors against SARS-CoV-2: In silico strategy. Computational Biology and Chemistry, 106, 107912. https://doi.org/10.1016/j.compbiolchem.2023.107912
  17. More-Adate, P., Lokhande, K. B., Shrivastava, A., Doiphode, S., Nagar, S., Singh, A., & Baheti, A. (2023). Design, Synthesis, and Biological Evaluation of Novel Quercetin Derivatives as PPAR-gamma Pharmacoinformatics approach for the screening of Kovidra (Bauhinia variegata) phytoconstituents against tumor suppressor protein in triple negative breast cancer. Journal of biomolecular structure dynamics, 1–16. Advance online publication. https://doi.org/10.1080/07391102.2023.2219744
  18. Ballav, S., Bhosale, M., Lokhande, K. B., Paul, M. K., Padhye, S., Swamy, K. V., Ranjan, A., & Basu, S. (2023). Design, Synthesis, and Biological Evaluation of Novel Quercetin Derivatives as PPAR- Partial Agonists by Modulating Epithelial-Mesenchymal Transition in Lung Cancer Metastasis. Advanced biology, e2300036. Advance online publication. https://doi.org/10.1002/adbi.202300036
  19. Bhosale, M. D., Thomas, A. B., Lokhande, K. B., Sahu, Swamy, K. V., Basu, S., Chitlange, S. S. (2023). Design, docking, synthesis, and in vitro evaluation of potent anti-tubercular agents targeting DNA Gyrase. Letters in Drug Design and Discovery. http://dx.doi.org/10.2174/1570180820666230523155640
  20. Raj, A. K., Upadhyay, V., Lokhande, K. B., Swamy, K. V., Bhonde, R. R., Sarode, S. C., Sharma, N. K. (2023). Free Fatty Acids from Cow Urine DMSO Fraction Induce Cell Death in Breast Cancer Cells without Affecting Normal GMSCs. Biomedicines, 11(3), 889. https://doi.org/10.3390/biomedicines11030889
  21. Lokhande, K. B.,Pawar, S. V., Madkaiker, S., Shrivastava, A., Venkateswara, S. K., Nawani, N., Wani, M., Ghosh, P., & Singh, A. (2023). Screening of potential phytomolecules againstMurG as drug target in nosocomial pathogen Pseudomonas aeruginosa: perceptions from computational campaign. Journal of biomolecular structure dynamics, https://doi.org/10.1080/07391102.2023.2194005
  22. Choudhary, K., Prasad, S. R., Lokhande, K. B., Murti, K., Singh, S., Ravichandiran, V., Kumar, N. (2023). 4-Methylesculetin ameliorates LPS-induced depression-like behavior through the inhibition of NLRP3 inflammasome. Frontiers in pharmacology, 14, 1120508. https://doi.org/10.3389/fphar.2023.1120508
  23. Nagare, S., Lokhande, K. B., & Swamy, K. V. (2023). Docking and simulation studies on cyclin D/CDK4 complex for targeting cell cycle arrest in cancer using flavanone and its congener. Journal of molecular modeling, 29(4), 90. https://doi.org/10.1007/s00894-023-05496-6
  24. Lokhande, K. B., Tiwari, A., Gaikwad, S., Kore, S., Nawani, N., Wani, M., Swamy, K. V., Pawar, S. V. (2023). Computational docking investigation of phytocompounds from bergamot essential oil against Serratia marcescens protease and FabI: Alternative pharmacological strategy. Computational biology and chemistry, 104, 107829. Advance online publication. https://doi.org/10.1016/j.compbiolchem.2023.107829
  25. Lokhande, K. B.,Shrivastava, A., & Singh, A. (2023). In silico discovery of potent inhibitors against monkeypox’s major structural proteins. Journal of biomolecular structure & dynamics, 1–16. Advance online publication. https://doi.org/10.1080/07391102.2023.2183342
  26. Bhimanwar, R. S., Lokhande, K. B., Shrivastava, A., Singh, A., Chitlange, S. S.,Mittal, A. (2023). Identification of potential drug candidates as TGR5 agonist to combat type II diabetes using in silico docking and molecular dynamics simulation studies. Journal of biomolecular structure dynamics, 1–18. Advance online publication. https://doi.org/10.1080/07391102.2023.2173654
  27. Raj, A. K., Lokhande, K. B., Prasad, T. K., Nandangiri, R., Choudhary, S., Pal, J. K., Sharma, N. K. (2023). Intracellular ellagic acid derived from goat urine DMSO fraction (GUDF) predicted as an inhibitor of c-Raf kinase. Current molecular medicine. Advance online publication. https://doi.org/10.2174/1566524023666230113141032
  28. Ballav, S., Lokhande, K. B., Sahu, V. K., Yadav, R. K., Swamy, K. V., and Basu, S. (2023). Identification of Novel PPAR-beta/delta Agonists from Kaempferol, Quercetin, and Resveratrol Derivatives by Targeting Cancer: An IntegrativeMolecular Docking and Dynamics Simulation Approach. Letters in Drug Design and Discovery. E-pub Ahead of Print. http://dx.doi.org/10.2174/1570180820666221214152939
  29. Pandey, K., Lokhande, K. B., Saha, A., Goja, A., Swamy, K. V., & Nagar, S. (2023). Exploring Potential Non-Steroidal Aromatase Inhibitors for Therapeutic Application Against Estrogen-Dependent Breast Cancer. Current computer-aided drug design, Advance online publication. https://doi.org/10.2174/1573409919666230112170025
  30. Ballav, S., Lokhande, K. B., Yadav, R. S., Ghosh, P., Swamy, K. V., & Basu, S. (2022). Exploring binding mode assessment of novel kaempferol, resveratrol, and quercetin derivatives with PPAR-alpha as potent drug candidates against cancer. Molecular diversity. Advance online publication. https://doi.org/10.1007/s11030-022-10587-2
  31. Doiphode, S., Lokhande, K. B., Ghosh, P., Swamy, K. V., & Nagar, S. (2022). Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by resveratrol derivatives in cancer therapy: in silico approach. Journal of biomolecular structure dynamics. Advance online publication. https://doi.org/10.1080/07391102.2022.2135599
  32. Singh, I. A., Lokhande, K. B., Swamy, K. V. (2022). Identification and Screening of Novel Anti-Cancer Compounds for Aurora Kinase-A from Chemical Database. DrugResearch, 10.1055/a-1877-4693. Advance online publication. https://doi.org/10.1055/a-1877-4693
  33. Chaudhari, A. M., Joshi, M., Kumar, D., Patel, A., Lokhande, K. B., Krishnan, A., Hanack, K., Filipek, S., Liepmann, D., Renugopalakrishnan, V., Paulmurugan, R., & Joshi, C. (2022). Evaluation of immune evasion in SARS-CoV-2 Delta and Omicron variants. Computational and structural biotechnology journal, 20, 4501–4516. https://doi.org/10.1016/j.csbj.2022.08.010
  34. More-Adate, P., Lokhande, K. B., Swamy, K. V., Nagar, S., & Baheti, A. (2022). GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 Mpro. Computers in biology and medicine, 147, 105679. https://doi.org/10.1016/j.compbiomed.2022.105679  
  35. Nagare, S., Lokhande, K. B., & Swamy, K. V. (2023). Molecular Docking and Simulation Studies of Flavanone and its Derived Compounds on PI3K-AKT Pathway Targeting against Cancer. Current drug discovery technologies, 20(1), e260522205302. https://doi.org/10.2174/1570163819666220526150152
  36. Lokhande, K. B.,Pawar, S. V., Madkaiker, S., Nawani, N., Venkateswara, S. K., & Ghosh, P. (2023). High throughput virtual screening and molecular dynamics simulation analysis of phytomolecules against BfmR of Acinetobacter baumannii: anti-virulent drug development campaign. Journal of biomolecular structure & dynamics, 41(7), 2698–2712. https://doi.org/10.1080/07391102.2022.2038271
  37. Lokhande, K. B., Pawar, S. V., Madkaiker, S., Nawani, N., Venkateswara, S. K., & Ghosh, P. (2023). High throughput virtual screening and molecular dynamics simulation analysis of phytomolecules against BfmR of Acinetobacter baumannii: anti-virulent drug development campaign. Journal of biomolecular structure & dynamics, 41(7), 2698–2712. https://doi.org/10.1080/07391102.2022.2038271
  38. Puntambekar, A., Lokhande, K. B., Swamy, K. V., Dake. (2022). M. Isolation, purification, and biochemical characterization of a thermophilic alkaline protease from hot water spring bacteria. Research Journal of Biotechnology, 17(7):035-043. https://doi.org/10.25303/1707rjbt1180129
  39. Asha Thomas, Manjiri Bhosale, Lokhande K. B., Swamy K. V., Chitlange S. S. (2022). Role of Nitrogen containing heterocyclic compounds in Acyl co-A carboxylase carboxyltransferase: Docking with dynamic simulation studies. Journal of Research in Pharmacy, 26(1):035-043. http://dx.doi.org/10.29228/jrp.
  40. Dutta A. D., Raj A.K., Lokhande K. B., Mitruka M., Swamy K. V., Pal J. K., Sarode S. C., Sharma N. K. (2022). Detection of Oncometabolite Nicotine Imine in the Nail of Oral Cancer Patients; Predicted as an Inhibitor of DNMT1 Current Chemical Biology,15(4): 301- 309. http://dx.doi.org/10.2174/2212796816666211223105911  
  41. Patel, R., Raj, A. K., Lokhande, K. B., Almasri, M. A., Alzahrani, K. J., Almeslet, A. S., Swamy, K. V., Sarode, G. S., Sarode, S. C., Patil, S., & Sharma, N. K. (2021). Detection of Nail Oncometabolite SAICAR in Oral Cancer Patients and Its Molecular Interactions with PKM2 Enzyme. International journal of environmental research and public health, 18(21), 11225. https://doi.org/10.3390/ijerph182111225
  42. Karale, A., Lokhande, K. B., Shende, N., Swamy, K. V., Dhere, R., Nawani, N., & Mallya, A. (2021). Transferrin binding protein-B from Neisseria meningitidis C as a novel carrier protein in glycoconjugate preparation: an in silico approach. Journal of biomolecular structure & dynamics, 1–11. Advance online publication. https://doi.org/10.1080/07391102.2021.1994878
  43. Lokhande, K. B., Ghosh, P., Nagar, S., & Venkateswara Swamy, K. (2021). Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation. Molecular diversity, 10.1007/s11030-021-10334-z. Advance online publication. https://doi.org/10.1007/s11030-021-10334-z  
  44. Chandore, H., Raj, A. K., Lokhande, K. B., Swamy, K. V., Pal, J. K., & Sharma, N. K. (2021). An Intracellular Tripeptide Arg-His-Trp of Serum Origin Detected in MCF-7 Cells is a Possible Agonist to β2 Adrenoceptor. Protein and peptide letters, 28(10), 1191–1202. https://doi.org/10.2174/0929866528666210816114901
  45. Lokhande, K. B., Banerjee, T., Swamy, K. V., Ghosh, P., & Deshpande, M. (2021). An in silico scientific basis for LL-37 as a therapeutic for Covid-19. Proteins, 10.1002/prot.26198. Advance online publication. https://doi.org/10.1002/prot.26198
  46. Pulakuntla, S., Lokhande, K. B., Padmavathi, P., Pal, M., Swamy, K. V., Sadasivam, J., Singh, S. A., Aramgam, S. L., & Reddy, V. D. (2021). Mutational analysis in international isolates and drug repurposing against SARS-CoV-2 spike protein: molecular docking and simulation approach. Virusdisease, 1–13. Advance online publication. https://doi.org/10.1007/s13337-021-00720-4
  47. Pandey, K., Lokhande, K. B., Swamy, K. V., Nagar, S., & Dake, M. (2021). In Silico Exploration of Phytoconstituents From Phyllanthus emblica and Aegle marmelos as Potential Therapeutics Against SARS-CoV-2 RdRp. Bioinformatics and biology insights15, 11779322211027403. https://doi.org/10.1177/11779322211027403
  48. Pandey, R. K., Dikhit, M. R., Lokhande, K. B., Pandey, K., Das, P., & Bimal, S. (2021). An immunoprophylactic evaluation of Ld-ODC derived HLA-A0201 restricted peptides against visceral leishmaniasis. Journal of biomolecular structure & dynamics, 1–11. Advance online publication. https://doi.org/10.1080/07391102.2021.1876773
  49. Lokhande, K.,Nawani, N., K Venkateswara, S., & Pawar, S. (2020). Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approach. Journal of biomolecular structure & dynamics, 1–13. Advance online publication. https://doi.org/10.1080/07391102.2020.1858165
  50. Lokhande, K. B., Apte, G. R., Shrivastava, A., Singh, A., Pal, J. K., K Venkateswara Swamy, & Gupta, R. K. (2020). Sensing the interactions between carbohydrate-binding agents and N-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation studies. Journal of biomolecular structure & dynamics, 1–19. Advance online publication. https://doi.org/10.1080/07391102.2020.1851303
  51. Lokhande, K. B., Ballav, S., Yadav, R. S., Swamy, K. V., & Basu, S. (2020). Probing intermolecular interactions and binding stability of kaempferol, quercetin and resveratrol derivatives with PPAR-γ: docking, molecular dynamics and MM/GBSA approach to reveal potent PPAR- γ agonist against cancer. Journal of biomolecular structure & dynamics, 1–11. Advance online publication. https://doi.org/10.1080/07391102.2020.1820380
  52. Mansuri, A., Lokhande, K., Kore, S., Gaikwad, S., Nawani, N., Swamy, K. V., Junnarkar, M., & Pawar, S. (2020). Antioxidant, anti-quorum sensing, biofilm inhibitory activities and chemical composition of Patchouli essential oil: in vitro and in silico approach. Journal of biomolecular structure & dynamics, 1–12. Advance online publication. https://doi.org/10.1080/07391102.2020.1810124
  53. Lokhande, K. B., Ballav, S., Thosar, N., Swamy, K. V., & Basu, S. (2020). Exploring conformational changes of PPAR-Æ” complexed with novel kaempferol, quercetin, and resveratrol derivatives to understand binding mode assessment: a small-molecule checkmate to cancer therapy. Journal of molecular modeling26(9), 242. https://doi.org/10.1007/s00894-020-04488-0
  54. Lokhande, K. B., Doiphode, S., Vyas, R., & Swamy, K. V. (2020). Molecular docking and simulation studies on SARS-CoV-2 Mpro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19. Journal of biomolecular structure & dynamics, 1–12. Advance online publication. https://doi.org/10.1080/07391102.2020.1805019
  55. Chandani, S. R., Lokhande, K. B., Swamy, K. V., Nanda, R. K., & Chitlange, S. S. (2019). Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets. Data in brief25, 103996. https://doi.org/10.1016/j.dib.2019.103996
  56. Yewale, P. P., Lokhande, K. B., Sridhar, A., Vaishnav, M., Khan, F. A., Mandal, A., Swamy, K. V., Jass, J., & Nawani, N. (2020). Molecular profiling of multidrug-resistant river water isolates: insights into resistance mechanism and potential inhibitors. Environmental science and pollution research international27(22), 27279–27292. https://doi.org/10.1007/s11356-019-05738-2
  57. Gandhi, S. P., Lokhande, K. B., Swamy, V. K., Nanda, R. K., & Chitlange, S. S. (2019). Computational data of phytoconstituents from Hibiscus rosa-sinensis on various anti-obesity targets. Data in brief24, 103994. https://doi.org/10.1016/j.dib.2019.103994
  58. Sagar Rohidas Nagare, Kiran Bharat Lokhande, Kakumani Venkateswara Swamy. (2020). Molecular docking studies of flavanone and its derivatives on pi3k pathway to search for potential target against cancer. Journal of Dental Research and Review, 7(5), 26-29. https://www.jdrr.org/text.asp?2020/7/5/26/278907
  59. Sangeeta Ballav, Kiran Bharat Lokhande, Ipshita Dabhi, Sonal Inje, Amit Ranjan, K Venkateswara Swamy, Soumya Basu. (2020). Designing novel quercetin derivatives as matrix metalloproteinase-9 inhibitors in colon carcinoma: An In vitro and in silico approach. Journal of Dental Research and Review, 7(5), 30-35. https://www.jdrr.org/text.asp?2020/7/5/30/278905
  60. Rohit D Gupta, Krish Parekh, Vaishnavi U Warrier, Kiran Bharat Lokhande, K Venkateswara Swamy, Rajkumar S Sood, Rajesh Kumar Gupta. (2020). Purification and characterization of pectins from Abelmoschus esculentus (okra pods) and Citrus limetta (citrus peels) and in silico binding study of pectin and pectic polysaccharides with galectin-1. Journal of Dental Research and Review, 7(5), 41-48. https://www.jdrr.org/text.asp?2020/7/5/41/278902
  61. Kothawade P. B., Lokhande K. B., Swamy K.V., Chitlange S. S, Thomas A. B. (2020). Novel nitrogen-containing heterocyclic compounds in GPR109A as an anti-hyperlipidemic: Homology modeling, docking, dynamic simulation studies. J Res Pharm., 24(4): 452-463. https://doi.org/10.35333/jrp.2020.193
  62. Thomas A. B., Shaikh A. S., Raje A., Lokhande K.B., Swamy K. V., Nagore D. H., Doke R. (2020). Herb drug interaction of Tinospora cordifolia (Willd.) Miers extract and Glimepiride: In vivo and in silico studies. Medicinal Plants-International Journal of Phytomedicines and Related Industrie, 12(4), 555-567.  http://dx.doi.org/10.5958/0975-6892.2020.00068.4
  63. Lokhande, K. B.,Nagar, S., & Swamy, K. V. (2019). Molecular interaction studies of Deguelin and its derivatives with Cyclin D1 and Cyclin E in cancer cell signaling pathway: The computational approach. Scientific reports9(1), 1778. https://doi.org/10.1038/s41598-018-38332-6
  64. Reddy, P. S., Lokhande, K. B., Nagar, S., Reddy, V. D., Murthy, P. S., & Swamy, K. V. (2018). Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer. Current computer-aided drug design14(3), 246–252. https://doi.org/10.2174/1573409914666180228111433
  65. Krushna, G. S., Shivaranjani, V. L., Umamaheswari, J., Srinivasulu, C., Hussain, S. A., Kareem, M. A., Reddy, V. D., Ali, D., Lokhande, K. B., Swamy, K. V., & Kodidhela, L. D. (2017). In vivo and molecular docking studies using whole extract and phytocompounds of Aegle marmelos fruit protective effects against Isoproterenol-induced Myocardial infarction in rats. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie91, 880–889. https://doi.org/10.1016/j.biopha.2017.04.115

Review Article:

  1. Gupta, R. K., Apte, G. R., Lokhande, K. B., Mishra, S., & Pal, J. K. (2020). Carbohydrate-Binding Agents: Potential of Repurposing for COVID-19 Therapy. Current protein & peptide science, 21(11), 1085–1096. https://doi.org/10.2174/1389203721666200918153717

 

  1. Lokhande, K. B.,Sharma, R., Jain, A., Dinesan, A., Singh, A. Protein’s Structure Prediction, Validation and Refinement: In Silico Approach. Springer Handbook of Chem- and Bioinformatics. [Accepted: June 2024].
  1. BioSolveIT Scientific ChallegneWinner: Winter 2022: Acknowledged with a research grant of 1000€,
  2. Drug Discovery Hackathon 2020 (Phase-I): Solution for drug discovery against Covid-19 was selected and awarded with cash prize of Rs.25,000/- in DDH2020 Phase-I, joint initiative of AICTE, CSIR and supported by Office of Principal Scientific Advisor, Govt. of India, NIC and MyGov. InSc Research Excellence Award 2020,
  3. ICMR SRF Award 2019,
  4. Fellowship of DST-SERB funded by Department of Science and Technology-Science and Engineering Research Board, Govt. of India, (2016-2019),
  5. Fellowship of NIPER funded by Ministry of Chemicals and Fertilizers, Govt. of India, during the course of M.S. Pharm, (2014-2016),
  6. Qualified GPAT 2014
  7. Qualified NIPER-JEE 2014.
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