A review on medicinally important heterocyclic compounds and importance of biophysical approach of underlying the insight mechanism in biological environment

S Karthikeyan, M Grishina, S Kandasamy… - Journal of …, 2023 - Taylor & Francis
Heterocyclic derivatives have more interesting biological properties which hold a
remarkable place in pharmaceutical industries due to their unique physiochemical …

Self-assembly of new cobalt complexes based on [Co (SCN)4], synthesis, empirical, antioxidant activity, and quantum theory investigations

A Ferchichi, J Makhlouf, Y El Bakri, K Saravanan… - Scientific Reports, 2022 - nature.com
The cobalt (II) complexes have been synthesized from the reaction of the cationic entities (3,
4-dimethylaniline (1) and histamine (2)) with metallic salt CoCl2⋅ 6H2O and thiocyanate ion …

Amorphous System of Hesperetin and Piperine—Improvement of Apparent Solubility, Permeability, and Biological Activities

K Wdowiak, A Miklaszewski, R Pietrzak… - International Journal of …, 2023 - mdpi.com
The low bioaccessibility of hesperetin and piperine hampers their application as therapeutic
agents. Piperine has the ability to improve the bioavailability of many compounds when co …

Experimental, Theoretical, and In Silico Studies of Potential CDC7 Kinase Inhibitors

K Byadarahalli Ravindranath, S Kandasamy… - ACS …, 2024 - ACS Publications
In this work, we present the synthesis, solid-state characterization, and in silico studies of
two pyrazole derivatives: 5-(2-methylphenoxy)-3-methyl-1-phenyl-1 H-pyrazole-4 …

Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular …

K Saravanan, S Sugarthi, S Suganya… - Journal of …, 2022 - Taylor & Francis
Alzheimer's disease (AD) is the grievous neurodegenerative disorder. Reportedly, many
enzymes are responsible for this disease, in which notably, acetylcholinesterase (AChE) …

[HTML][HTML] Experimental, Theoretical, and In Silico Studies of Potential CDC7 Kinase Inhibitors

KB Ravindranath, S Kandasamy, H Ebaid… - ACS …, 2024 - pmc.ncbi.nlm.nih.gov
In this work, we present the synthesis, solid-state characterization, and in silico studies of
two pyrazole derivatives: 5-(2-methylphenoxy)-3-methyl-1-phenyl-1H-pyrazole-4 …

Binding studies of known molecules with acetylcholinesterase and bovine serum albumin: A comparative view

K Saravanan, S Karthikeyan, S Sugarthi… - Spectrochimica Acta Part …, 2021 - Elsevier
The interactions between selected molecules (piperine, tacrine, curcumin and silibinin) and
proteins (acetylcholinesterase and bovine serum albumin) were investigated by …

[HTML][HTML] A correlative approach in 3D structures of potential Alzheimer disease inhibitors

KB Ravindranath, S Kandasamy, SSN Rao… - Journal of Molecular …, 2023 - Elsevier
In this study, two potential inhibitors (3-(5-(2, 4 dichlorophenoxy)-3-methyl-1-phenyl-1H-
pyrazol-4-methyl-1H pyrazol-4-yl)-1-(thiophene-2-yl) prop‑2-en-1-one): I and 3-(5-(2, 4 …

Elucidating the potential neurotoxicity of chiral phenthoate: Molecular insight from experimental and computational studies

F Ding, W Peng, YK Peng, BQ Liu - Chemosphere, 2020 - Elsevier
Chiral organophosphorus pollutants are existed ubiquitously in the ecological environment,
but the enantioselective toxicities of these nerve agents to humans and their molecular …

A Correlative Approach in Accurate 3D Structures of Potential Alzheimer Disease Inhibitors

N NA, K BR, M NK, N Manju, S SN, J Gowda… - papers.ssrn.com
In this study, two potential inhibitors (3-(5-(2, 4 dichlorophenoxy)-3-methyl-1-phenyl-1H-
pyrazol-4-methyl-1H pyrazol-4-yl)-1-(thiophene-2-yl) prop-2-en-1-one): I and 3-(5-(2, 4 …