Hydration effects on molecular structure, vibrational, electronic properties, drug-likeness analysis, molecular docking, and molecular dynamics studies of (Z)-3-(2-oxo …

SJ Koyambo-Konzapa, SO Aljazzar… - Journal of Molecular …, 2024 - Elsevier
This study examines how solvation models, including COSMO, CPCM, PCM, and SMD,
affect the conformations, molecular structure, vibrational behaviors, and electronic properties …

Preparation of novel [Co(SCN)4] hybrid material: crystal structure investigation, DFT mechanistic analysis, antioxidant activity, and molecular docking study for …

J Makhlouf, H Louis, I Benjamin, IO Amodu… - Journal of Sulfur …, 2024 - Taylor & Francis
The crystal structure of the title solvated coordination compound,[Co (SCN) 4 (BtaH)
2]·(BtaH) 2.6 (H2O), consists of discrete complexes in which the Co2+ cations are sixfold …

Comparative assessment of anti-cancer drugs against NUDT15 variants to prevent leucopenia side effect in leukemia patients

V Janakiraman, M Sudhan, KF Alsharif… - Journal of Genetic …, 2023 - Elsevier
Background Human nucleotide triphosphate diphosphatase (NUDT15) is one of the
essential proteins involved in the hydrolysis of anti-cancer drugs against leukemia …

Discovery of novel dihydro-pyrimidine hybrids: insight into the design, synthesis, biological evaluation and absorption, distribution, metabolism and excretion studies

U Arshad, N Shafiq, S Parveen… - Future Medicinal …, 2024 - Taylor & Francis
Aim: By keeping in aspects, the pharmacological potential of heterocyclic compounds,
pyrimidine-based compounds were designed, synthesized and evaluated for α-amylase …

Health-Promoting Effects of Cardamom (Elettaria cardamomum)

A Cheikhyoussef, N Cheikhyoussef, R Sharma… - Cardamom (Elettaria …, 2023 - Springer
Abstract Cardamom [Elettaria cardamomum (L.) Maton] is an essential member of the
Zingiberaceae family. This species has several known names, such as green cardamom …

Single Crystal XRD, Hirshfeld Surface, Quantum Chemical and Molecular Docking Studies on Diethyl1-(4-Nitrobenzyl)-4-(4-Nitrophenyl)-2, 2-Dioxooctahydro-2 …

R Sribala, N Srinivasan, R Premkumar… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The single crystal of the title compound Diethyl 1-(4-nitrobenzyl)-4-(4-nitrophenyl)-2, 2-
dioxooctahydro-2-pyrrolo [2, 1-c] 1, 4thiazine-1, 3-dicarboxylate was grown and …

PRELIMINARY SCREENING OF NANO FORMULATED NARINGENIN WITH REFERENCE TO MOLECULAR DOCKING, CHARACTERIZATION AND BIOMEDICAL …

C Thangam, R Cyril, R Jayasree… - Journal of …, 2023 - search.ebscohost.com
Naringenin is a plant bioflavonoid that occurs naturally in a variety of fruits and vegetables
and has a broad range of properties, including anti-inflammatory, cancer preventive, and …

[PDF][PDF] Academic Qualifications

K LANGESWARAN - 2005 - alagappauniversity.ac.in
Contact Academic Qualifications Page 1 Contact Academic Qualifications Dr. K.
LANGESWARAN Assistant Professor and Head (i/c) Address Employee Number Contact …