biblio
, “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.
, “Molecular recognition pattern of cytotoxic alkaloid vinblastine with multiple targets”, Journal of Molecular Graphics & Modelling, vol. 54, pp. 1-9, 2014.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Synthesis and antitubercular activity of new benzo[b]thiophenes”, ACS Medicinal Chemistry Letters, vol. 7, no. 8, pp. 751-756, 2016.
, “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.
, “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.
, “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.
, “Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights”, Inorganica Chimica Acta, vol. 461, pp. 84-91, 2017.
, “Design, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents”, Archiv Der Pharmazie, vol. 351, no. 2, p. e1700294, 2018.
, “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.
, “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.
, “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.
, “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.
, “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.
, “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.
, “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.
, “BESFA: bioinformatics based evolutionary, structural & functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs”, Heliyon, vol. 8, no. 9, p. e10476, 2022.
, “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.
, “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.
, “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.
, “AIDrugApp: artificial intelligence-based Web-App for virtual screening of inhibitors against SARS-COV-2”, Journal of Experimental & Thereotical Artificial Intelligence , vol. 35, no. 3, pp. 395-443, 2023.
, “Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets”, Journal of Biomolecular Structure and Dynamics, vol. 41, no. 16, pp. 7735-7743, 2023.
, “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.
, “Novel finding: 2,4-Di-tert-butylphenol from streptomyces bacillaris ANS2 effective against mycobacterium tuberculosis and cancer cell lines”, Applied Biochemistry and Biotechnology , vol. 195, no. 11, pp. 6572-6585, 2023.
, “Polymerized stimuli-responsive microgels for the removal of organic dye from water”, Journal of Molecular Liquids, vol. 375, p. 121267, 2023.
, “Green one-pot three component synthesis of thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidines with [Bmim]BF4: their in vitro and in silico anti-TB studies”, Molecular Diversity, 2024.
, “Transcriptome analysis and Structure-Based drug discovery identifies potential biofungicides for controlling Fusarium wilt in chickpea”, Journal of Molecular Liquids, vol. 399, 2024.