فهرست مطالب

Journal of Applied Organometallic Chemistry
Volume:3 Issue: 1, Jan 2023

  • تاریخ انتشار: 1401/10/11
  • تعداد عناوین: 6
|
  • Nilam Patil, D. Shinde, Prakash Patil * Pages 1-12
    The establishment of nanotechnology, nanoparticles from gold (Au NPs) is one of the extensive attention due to the presence of important properties. In this study,the green synthesis of gold NPs from the extract of Neem, Apta, and Umber plants is reported. The obtained AuNPs were characterized by UV-Vis spectrum and X-ray diffraction analysis (XRD). Since all the plants (bark)show FCC face-centered cube structure as FCC as permitted reflection is (111),(200),(220),(311) and gold nanoparticles show maximum wavelength in the range of 520 nm to 680 nm.
    Keywords: Nanoparticles (NPs), gold nanoparticles (Au NPs), Green synthesis, Nanotechnology
  • Deepak Kadam, Sudhakar Patil, Denni Mammen, Shreyash Kadam, Vijaykumar More * Pages 13-27
    Thiazolidin-4-one derivatives have been hailed as “wonder nucleus” due to their profound biological activities. A number of derivatives with variable functional groups attached to the five-membered heterocyclic ring have been synthesized and further subjected to molecular docking studies, against C-KIT Tyrosine kinase target protein (1T46). The interactions, binding and affinity variations due to differences in functional groups have been studied using ChemDraw Ultra 7.0, RCSB – Protein Data Bank, BIOVIA Discovery Studio Visualizer 2021, MGL AutoDock Tools, AutoDock Vina and Vina Split software. The docking studies showed good interaction of the synthesized molecules with the 1T46 target protein. The ADME studies of these molecules have also been studied to identify which of the synthesized molecules have the potential to cross the Human Intestinal lining, as well as the BBB barrier. Out of the 18 molecules studied, 12 of them showed good potential to be absorbed by the intestine out of which only one molecule was able to show potential to cross the BBB barrier. There were 5 molecules that could not cross both the barrier. These studies could reveal which functionalities present attached to the thiazolidine-4-one could assist in human intestinal absorption and the crossing of the BBB barrier.
    Keywords: Thiazolidin-4-one, Molecular docking, ADME, HIA, BB
  • Bapusaheb Wadje *, Devidas Pawar, Swapnil Navhate, Vijay Bhosale _ Pages 28-38
    A series of β-carboline derivatives have been modified at C-1 sites of the aryl ring and tested for the Insilco Estrogen Receptor inhibitory study. all the designed molecules show an excellent bonding score with 5ACC Estrogen Receptor protein. The position of the proposed ligands BC-6, and BC-12 in the binding site of protein is superimposable with the native ligand and shows the hydrogen bonding with the LEU:346 amino acid residues. The ADME studies show that groups BC-6 and BC-12 show good human intestinal CYP1A2 inhibitor, CYP2C19 inhibitor, CYP2C9 inhibitor, CYP3A4 inhibitor, CYP3A4 inhibitor activity with Log Kp (skin permeation) -5.43 cm/s, while Ramachandran plot for BC-6 indicate, molecules show the 100% favorable region in the pocket of enzyme 5ACC. While the BC-6 and BC-12 can cross the BBB barrier. This study indicates that from all the synthesized molecules, the scaffold BC-6 and BC-12 show excellent activity.
    Keywords: Insilco, CADD, β-Carboline, Estrogen Receptor, Swiss target prediction, ADME
  • Maroti Dhange, Shivaji Patwari, Nitishkumar Kaminwar, Balaji Madje, Dhanji P. Rajani, Rajkumar Pokalwar * Pages 39-51
    The copper nanoparticles grafted on carbon microsphere (Cu-NP/C) catalyst was used to create a convenient and efficient synthesis of 3-(1H-benzo(d)imidazole-2-yithio) methyl-2-chloroquinoline (4a-f) from 2-Chloroquinoline-3-carbaldehyde (1a-f) and 1H-benzo[d]imidazole-2-thiol (Scheme-1, Table-2). The synthesis was placed under mild reaction conditions, resulting in a excellent yield (92-97%, Table-2) of the appropriate compounds. The prepared compounds were characterized by H1NMR, IR, and Mass spectroscopy. These synthesized compounds were studied for antituberculosis activities (Table-3, 4a-f) against standard drug isoniazid and rifampicin and show moderate activity. To explain the experimentally discovered affinity for 3-((1H-benzo[d]imidazol-2-ylthio)methyl)-2-chloroquinoline derivatives, molecular docking studies were conducted. A molecular docking study reveals the 4e and 4f derivatives of 3-((1H-benzo[d]imidazol-2-ylthio)methyl)-2-chloroquinoline to be the most active ones.
    Keywords: 3-(1H-benzo(d)imidazole-2-yithio)methyl-2-chloroquinoline, 2-chloroquinoline-3-carbaldehyde, Antituberculosis Activity, Molecular docking, 1H-benzo[d]imidazole-2-thiol, Copper Nanoparticles Grafted on Carbon Microspheres
  • Mohd. Yusuf *, Sukhvinder Pal, Mohammad Shahid, Mohammad Asif, Shafat Khan, Rakhi Tyagi Pages 52-60
    In the present scenario of eco-preservation and eco-safe utilization, researchers globally have been attracted to the utilization of raw and sustainable products having significant therapeutic potential that allow safety, modality, and biological activeness with environmental compatibility. Ar-turmerone has various pharmacological actions, including antidepressant, antiepileptic, anti-dermatophyte, antivenom, anticancer, antiplatelet activity, etc. In the present work, we investigated Ar-Turmerone (Ar-Tume), one of the chief phytoconstituents present in Curcuma longa for human anticholinesterase (AChE) inhibitor (4PQE) and human salivary alpha-Amylase dimer (1XV8) hydrolase inhibitor as a natural product-based emerging scaffold. Our study reveals that the selected compound Ar-Tume showed remarked biological, ADMET profiling, and superior docking scores/negative binding energies (-7.9 against 4PQE and -6.7 against 1XV8) concerning the reference drugs, which attributed to the strong hydrogen-bonding interactions both towards both anti-Alzheimers and antidiabetic capabilities.
    Keywords: In-Silico study, Ar-turmerone, Alzheimer’s disease, Acetylcholine esterase, Antidiabetic target
  • Olamide Ajani *, Kasali Bello, Abdullahi Kogo Pages 61-72
    In this study, the synthesis of acid dyes was investigated from 4-amino-1-(4-sulfophenyl)-3-methyl-5-pyrazolone and their pyridone derivatives, followed by their metal complexes (Fe (II) and Cu (II)). The pyridone derivatives comprise 1-amino-2-hydroxy-4-methyl-5-cyano-6-pyridone, 1- methyl-2-hydroxy-4-methyl-5-cyano-6-pyridone, 1-ethyl-2-hydroxy-4-methyl-5-cyano-6-pyridone and 1-buthyl-2-hydroxy-4-methyl-5-cyano-6-pyridone. The acid dyes were successfully synthesized with good yield ranging from 75-96% and were metallized using Fe (II) and Cu (II) in the ratio 1:2. Metallized acid dyes using Fe (II) and Cu (II) were successfully synthesized with good yield ranging from 82-96%. Characterization of these dyes structure was established by FTIR, UV, and GCMS. To learn more about these acid dyes' dyeing capabilities, they were applied to nylon 6.6 fabrics. All of these acid dyes produced hues of yellow, greenish yellow, dark grey, and brown. On nylon 6.6 fabrics, the washing fastness was moderate to excellent (4-7), the rubbing fastness was good to excellent in both wet and dry conditions (3-5), and perspiration fastness was moderate to very good (3-4). Due to the high tinctorial strength and effective exhaustion of metallized dyes on nylon 6.6 fabrics when pH is 5 and non-metallized acid dyes are used, non-metallized acid dyes' fastness qualities were lower than those of metal complex acid (1:2) dyes.
    Keywords: 4-Amino-1-(4-sulfophenyl)-3-methyl-5-pyrazolone, Pyridone derivatives, Acid dyes, Application