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An in-silico pharmacophore-based molecular docking study to evaluate the inhibitory potentials of novel fungal triterpenoid Astrakurkurone analogues against a hypothetical mutated main protease of SARS-CoV-2 virus
Computers in Biology and Medicine,
2023
DOI:10.1016/j.compbiomed.2022.106433
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Phyto-bacterial biosorption of basic fuchsine: A self-sustainable approach towards biomitigation of contaminant of emerging concern
Journal of Environmental Chemical Engineering,
2023
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Solid-state Synthesis, electronic Structure Studies, Solvent Interaction through Hydrogen Bonding, and Molecular Docking Studies of 2,2’-((1,2-Phenylenebis(Azaneylylidene))Bis (Methaneylylidene))Diphenol from o-Phenylenediamine and Salicylaldehyde
Polycyclic Aromatic Compounds,
2023
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Lupane derivatives: Design, isolation, synthesis and evaluation of antiplasmodial activity against Plasmodium falciparum 3D7 strain
Phytochemistry Letters,
2023
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Lupane derivatives: Design, isolation, synthesis and evaluation of antiplasmodial activity against Plasmodium falciparum 3D7 strain
Phytochemistry Letters,
2023
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Anti-melanoma potential of fucoxanthin by inhibition MC1R receptor: In Silico study
THE 5TH INTERNATIONAL CONFERENCE ON BIOSCIENCE AND BIOTECHNOLOGY,
2023
DOI:10.1063/5.0174957
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Phyto-bacterial biosorption of basic fuchsine: A self-sustainable approach towards biomitigation of contaminant of emerging concern
Journal of Environmental Chemical Engineering,
2023
DOI:10.1016/j.jece.2023.109330
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Economical, efficient, and environmentally friendly synthesis strategy of O-Alkylation strategy based on phenolphthalein reactions with electrophiles: Characterization, DFT study, and molecular docking
Journal of Molecular Structure,
2022
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Highly selective thiazole-appended “switch off” fluorogenic sensor with a detection level of nM for Cu2+: DFT calculations and practically applications
Journal of Luminescence,
2022
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Punica granatum pericarp extract catalyzed green chemistry approach for synthesizing novel ligand and its metal(II) complexes: Molecular docking/DNA interactions
Journal of Molecular Structure,
2022
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Potent In Vitro Phosphodiesterase 1 Inhibition of Flavone Isolated from Pistacia integerrima Galls
BioMed Research International,
2022
DOI:10.1155/2022/6116003
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Highly selective thiazole-appended “switch off” fluorogenic sensor with a detection level of nM for Cu2+: DFT calculations and practically applications
Journal of Luminescence,
2022
DOI:10.1016/j.jlumin.2021.118561
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Molecular dynamics investigation of ivermectin bound to importin alpha/beta heterodimer
Molecular Simulation,
2022
DOI:10.1080/08927022.2021.2015066
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IN SILICO STUDY OF BIOACTIVE COMPOUNDS FROM SUNGKAI (PERONEMA CANESCENS) AS IMMUNOMODULATOR
International Journal of Applied Pharmaceutics,
2022
DOI:10.22159/ijap.2022.v14s4.PP33
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Economical, efficient, and environmentally friendly synthesis strategy of O-Alkylation strategy based on phenolphthalein reactions with electrophiles: Characterization, DFT study, and molecular docking
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2022.133424
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Punica granatum pericarp extract catalyzed green chemistry approach for synthesizing novel ligand and its metal(II) complexes: Molecular docking/DNA interactions
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2021.131656
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Synthesis, crystal growth, spectroscopic characterization, Hirshfeld surface analysis and DFT investigations of novel nonlinear optically active 4-benzoylpyridine-derived hydrazone
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130858
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In silico structural analysis of truncated 2’ fluoro-RNA aptamer: Elucidating EGF-1 and EGF-2 binding domains on factor IX protein
Process Biochemistry,
2021
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Cashew nutshell liquid catalyzed green chemistry approach for synthesis of a Schiff base and its divalent metal complexes: molecular docking and DNA reactivity
Nucleosides, Nucleotides & Nucleic Acids,
2021
DOI:10.1080/15257770.2020.1868502
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Synthesis, characterization and molecular docking studies of new indol(1H-3-yl)pyrimidine derivatives: Insights into their role in DNA interaction
Nucleosides, Nucleotides & Nucleic Acids,
2021
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Molecular Mechanism of Small-Molecule Inhibitors in Blocking the PD-1/PD-L1 Pathway through PD-L1 Dimerization
International Journal of Molecular Sciences,
2021
DOI:10.3390/ijms22094766
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Synthesis, crystal growth, spectroscopic characterization, Hirshfeld surface analysis and DFT investigations of novel nonlinear optically active 4-benzoylpyridine-derived hydrazone
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130858
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In silico structural analysis of truncated 2’ fluoro-RNA aptamer: Elucidating EGF-1 and EGF-2 binding domains on factor IX protein
Process Biochemistry,
2021
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[24]
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Synthesis, characterization and molecular docking studies of new indol(1H-3-yl)pyrimidine derivatives: Insights into their role in DNA interaction
Nucleosides, Nucleotides & Nucleic Acids,
2021
DOI:10.1080/15257770.2021.1922700
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In silico structural analysis of truncated 2’ fluoro-RNA aptamer: Elucidating EGF-1 and EGF-2 binding domains on factor IX protein
Process Biochemistry,
2021
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New 1,3,4-thiadiazol derivatives: Synthesis, computational study and X-Ray
Journal of Molecular Structure,
2020
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Molecular dynamics simulations of the interactions between triose phosphate isomerase and sulfonamides
PeerJ Physical Chemistry,
2020
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CDK2 and Bcl-xL inhibitory mechanisms by docking simulations and anti-tumor activity from piperine enriched supercritical extract
Food and Chemical Toxicology,
2019
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Identification of Ixodid Tick-Specific Aquaporin-1 Potential Anti-tick Vaccine Epitopes: An in-silico Analysis
Frontiers in Bioengineering and Biotechnology,
2019
DOI:10.3389/fbioe.2019.00236
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Dual inhibitors of urease and carbonic anhydrase-II from Iris species
Pure and Applied Chemistry,
2019
DOI:10.1515/pac-2019-0407
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Soft-template synthesis of high surface area mesoporous titanium dioxide for dye-sensitized solar cells
International Journal of Energy Research,
2018
DOI:10.1002/er.4288
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