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B
R. Banerjee, Chakraborti, P., Bhowmick, R., and Mukhopadhyay, S., “Distinct molecular features facilitating ice-binding mechanisms in hyperactive antifreeze proteins closely related to an Antarctic sea ice bacterium”, Journal of Biomolecular Structure & Dynamics, vol. 33, no. 7, pp. 1424-1441, 2015.
C
T. S. Chitre, Patil, S. M., Sujalegaonkar, A. G., Asgaonkar, K. D., Khedkar, V. M., Garud, D. R., Jha, P. C., Gaikwad, S. Y., Kulkarni, S., Choudhari, A., and Sarkar, D., “Non nucleoside reverse transcriptase inhibitors, molecular docking studies and antitubercular activity of thiazolidin-4-one derivatives”, Current Computer-Aided Drug Design, vol. 15, no. 5, pp. 433-444, 2019.
T. S. Chitre, Asgaonkar, K. D., Vikhe, A. B., Patil, S. M., Garud, D. R., Khedkar, V. M., Sarkar, D., Nawale, L. U., and Yeware, A., “In silico studies, synthesis and antitubercular activity of some novel quinoline - azitidinone derivatives”, Current Computer-Aided Drug Design, vol. 17, no. 1, pp. 134-143, 2021.
D
A. B. Danne, “Synthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents”, Research on Chemical Intermediates, vol. 44, no. 10, pp. 1-28, 2018.
N. C. Desai, Bhatt, K., Jadeja, D. J., Mehta, H. K., Khedkar, V. M., and Sarkar, D., “Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids”, Drug Development Research, vol. 83, no. 2, pp. 416-431, 2022.
N. C. Desai, Somani, H., Trivedi, A., Bhatt, K., Nawale, L., Khedkar, V. M., Jha, P. C., and Sarkar, D., “Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents”, Bioorganic & Medicinal Chemistry Letters, vol. 26, no. 7, pp. 1776-1783, 2016.
S. T. Dhumal, Deshmukh, A. R., Bhosle, M. R., Khedkar, V. M., Nawale, L. U., Sarkar, D., and Mane, R. A., “Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds”, Bioorganic & Medicinal Chemistry Letters, vol. 26, no. 15, pp. 3646-3651, 2016.
G
S. Gholap, Tambe, M., Nawale, L., Sarkar, D., Sangshetti, J., and Damale, M., “Design, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents”, Archiv Der Pharmazie, vol. 351, no. 2, p. e1700294, 2018.
V. E. Goud, Sivaramakrishna, A., Vijayakrishna, K., Rao, C. V. S. Brah, Khedkar, V. M., and Jha, P. C., “Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights”, Inorganica Chimica Acta, vol. 461, pp. 84-91, 2017.
H
V. S. Honmore, Natu, A. D., Khedkar, V. M., Arkile, M. A., Sarkar, D., and Rojatkar, S. R., “Two antibacterial spiro compounds from the roots of Artemisia pallens wall: evidence from molecular docking”, Natural Product Research, vol. 36, no. 10, pp. 2465-2472, 2022.
K
M. Karthikeyan, Pandit, D., Bhavasar, A., and Vyas, R., “Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 604-619, 2015.
M
P. S. Mahajan, Nikam, M. D., Nawale, L. U., Khedkar, V. M., Sarkar, D., and Gill, C. H., “Synthesis and antitubercular activity of new benzo[b]thiophenes”, ACS Medicinal Chemistry Letters, vol. 7, no. 8, pp. 751-756, 2016.
C. Mahajan, Patel, K., Khan, B. Mohammad, and Rawal, S. S., “In silico ligand binding studies of cyanogenic beta-glucosidase, dhurrinase-2 from Sorghum bicolor”, Journal of Molecular Modeling, vol. 21, no. 7, p. 184, 2015.
N
U. D. Nimbalkar, Tupe, S. G., Vazquez, J. A. Seijas, Khan, F. A. Kalam, Sangshetti, J. N., and Nikalje, A. Pratima G., “Ultrasound- and molecular sieves-assisted synthesis, molecular docking and antifungal evaluation of 5-(4-(benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones”, Molecules, vol. 21, no. 5, p. 484, 2016.
U. D. Nimbalkar, Seijas, J. A., Borkute, R., Damale, M. G., Sangshetti, J. N., Sarkar, D., and Nikalje, A. Pratima G., “Ultrasound assisted synthesis of 4-(Benzyloxy)-N-(3-chloro-2-(substitutedphenyl)-4-oxoazetidin-1-yl) benzamide as challenging anti-tubercular scaffold”, Molecules, vol. 23, no. 8, p. Article No: 1945, 2018.
P
P. Pandya, Agarwal, L. Kr, Gupta, N., and Pal, S., “Molecular recognition pattern of cytotoxic alkaloid vinblastine with multiple targets”, Journal of Molecular Graphics & Modelling, vol. 54, pp. 1-9, 2014.
B. Pany, Majundar, A. Ghosh, Mohanty, M., Fyis, K. P., Dey, T., Tripathy, G., Bhat, S., Yamanaka, J., and Mohanty, P. S., “Polymerized stimuli-responsive microgels for the removal of organic dye from water”, Journal of Molecular Liquids, vol. 375, p. 121267, 2023.
Y. Patil, Shingare, R., Choudhari, A., Borkute, R., Sarkar, D., and Madje, B. R., “Synthesis and biological evaluation of some new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine derivatives as potential antitubercular agents”, Archiv Der Pharmazie, vol. 351, no. 8, p. e1800040, 2018.
Q
S. Qazi, Jit, B. Prasad, Das, A., Karthikeyan, M., Saxena, A., Ray, M. D., Singh, A. Rajan, Raza, K., Jayaram, B., and Sharma, A., “BESFA: bioinformatics based evolutionary, structural & functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs”, Heliyon, vol. 8, no. 9, p. e10476, 2022.
S
N. M. Shaik, Misra, A., Singh, S., Fatangare, A. B., Ramakumar, S., Rawal, S. K., and Khan, B. Mohammad, “Functional characterization, homology modeling and docking studies of beta-glucosidase responsible for bioactivation of cyanogenic hydroxynitrile glucosides from Leucaena leucocephala (subabul)”, Molecular Biology Reports, vol. 40, no. 2, pp. 1351-1363, 2013.
R. Sharma and Suresh, C. G., “Genome-wide identification and structure-function studies of proteases and protease inhibitors in cicer arietinum (chickpea)”, Computers in Biology and Medicine, vol. 56, pp. 67-81, 2015.
I. G. Shibi, Aswathy, L., Jisha, R. S., Masand, V. H., and Gajbhiye, J. M., “Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals”, Combinatorial Chemistry & High Throughput Screening, vol. 19, no. 7, pp. 572-591, 2016.
V. Shinde, Mahulikar, P., Mhaske, P. C., Chakraborty, S., Choudhari, A., Phalle, S., Choudhari, P., and Sarkar, D., “Synthesis and antimycobacterial evaluation of new 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives”, Medicinal Chemistry Research, vol. 28, no. 6, pp. 805-819, 2019.
S. Singh, Navale, G. R., Agrawal, S., Singh, H. Kisan, Singla, L., Sarkar, D., Sarma, M., Choudhury, A. Roy, and Ghosh, K., “Design and synthesis of piano-stool ruthenium(II) complexes and their studies on the inhibition of amyloid ? (1-42) peptide aggregation”, International Journal of Biological Macromolecules, vol. 239, p. 124197, 2023.
U
A. Atmaram Upare, Gadekar, P. K., Sivaramakrishnan, H., Naik, N., Khedkar, V. M., Sarkar, D., Choudhari, A., and S. Roopan, M., “Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents”, Bioorganic Chemistry, vol. 86, pp. 507-512, 2019.
Y
S. Kumari Yadav, Panwar, D., Singh, A., Tellis, M. B., Joshi, R. Shamsunder, and Dixit, A., “Molecular phylogeny, structure modeling and in silico screening of putative inhibitors of aerolysin of Aeromonas hydrophila EUS112”, Journal of Biomolecular Structure & Dynamics, vol. 40, no. 19, 2022.