Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine …
N Mujafarkani, MA Ojong, AJ Ahamed… - Journal of Molecular …, 2023 - Elsevier
This study articulates the synthesis, spectroscopic characterization, solvation effects,
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
Antimicrobial activity of guanidine-based terpolymers: Synthesis, Spectroscopy (FT-IR, 1H, and 13C NMR), Quantum chemical investigation, and molecular docking
N Mujafarkani, DC Agurokpon, RA Hussien… - Journal of Molecular …, 2024 - Elsevier
This study presents a comprehensive assessment of the antimicrobial efficacy of a
Guanidine-Based Terpolymer (DGF) utilizing a blend of experimental and theoretical …
Guanidine-Based Terpolymer (DGF) utilizing a blend of experimental and theoretical …
Synthesis, vibrational depictions, IRI interpretations and docking research on coordination metal complex Diaqua aspartato zinc (II) monohydrate using DFT approach
XDD Dexlin, JDD Tarika, M Sethuram… - Journal of Molecular …, 2022 - Elsevier
In this study, the anti-viral metal coordination complex Diaqua aspartato zinc (II)
Monohydrate (DAZM) was grown and its functional outcomes were depicted using Infrared …
Monohydrate (DAZM) was grown and its functional outcomes were depicted using Infrared …
Synthesis, molecular docking of 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses
A Kumar, S Sambandam, A Ramalingam… - Journal of Molecular …, 2022 - Elsevier
Abstract In this work, 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one (CEDP) was
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): a potent …
A Ramalingam, S Sambandam, H Louis… - Journal of Molecular …, 2023 - Elsevier
In this present study, the possibility of using 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
Anti-inflammatory biomolecular activity of chlorinated-phenyldiazenyl-naphthalene-2-sulfonic acid derivatives: perception from DFT, molecular docking, and molecular …
AD Udoikono, EC Agwamba, H Louis… - Journal of …, 2023 - Taylor & Francis
In this study, two novel derivatives of naphthalene-2-sulfonic acid: 6-(((1S, 5R)-3, 5-dichloro-
2, 4, 6-triazabicyclo [z3. 1.0] hex-3-en-1-yl) amino)-5-((E)-phenyldiazenyl) naphthalene-2 …
2, 4, 6-triazabicyclo [z3. 1.0] hex-3-en-1-yl) amino)-5-((E)-phenyldiazenyl) naphthalene-2 …
Synthesis, characterization, and molecular modeling of phenylenediamine-phenylhydrazine-formaldehyde terpolymer (PPHF) as potent anti-inflammatory agent
N Mujafarkani, V Bassey, JJ Tokono, AJ Ahamed… - Heliyon, 2023 - cell.com
Inflammation, a characteristic physiological response to infections and tissue damage,
commences with processes involving tissue repair and pathogen elimination, contributing to …
commences with processes involving tissue repair and pathogen elimination, contributing to …
Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies
The need to discover, design and develop novel anti-malaria agent that are capable of
treating and providing prophylaxis cover for malaria infections has become paramount …
treating and providing prophylaxis cover for malaria infections has become paramount …
(E)-2-((3-nitrophenyl) diazenyl)-3-oxo-3-phenylpropanal: experimental, DFT studies, and molecular docking investigations
In 2019 alone, the WHO declared about 325 million people worldwide to be infected with
hepatitis, resulting to mortality of about 1.4 million annually. In this study the potential of (E)-2 …
hepatitis, resulting to mortality of about 1.4 million annually. In this study the potential of (E)-2 …
Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID-19 molecule 3, 5 Dimethyl …
XDD Dexlin, JDD Tarika, SM Kumar… - Journal of Molecular …, 2021 - Elsevier
Abstract Prospective Anti-viral compound 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate
(DPDS) was synthesized and characterized using FT-IR, FT-Raman, UV and NMR spectra …
(DPDS) was synthesized and characterized using FT-IR, FT-Raman, UV and NMR spectra …