Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1, 3, 4-oxadiazole linked benzimidazoles as anticancer agents and …

U Acar Çevik, I Celik, A Işık, I Ahmad… - Journal of …, 2023 - Taylor & Francis
Breast cancer is the most frequent female cancer and second cause of cancer-related
deaths among women around the world. Two thirds of breast cancer patients have hormone …

Synthesis, structural features, excited state properties, flouresence spectra, and quantum chemical modeling of (E)-2-hydroxy-5-(((4-sulfamoylphenyl) imino) methyl) …

OAA Ali, N Elangovan, SF Mahmoud… - Journal of Molecular …, 2022 - Elsevier
The structure, spectroscopic features, and pharmaceutical effect of (E)-2-hydroxy-5-(((4-
sulfamoylphenyl) imino) methyl) benzoic acid (E7) has been studied by density functional …

Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzenesulfonamide from 5 …

J Geethapriya, A Shanthidevi, M Arivazhagan… - Journal of the Indian …, 2022 - Elsevier
Abstract Schiff base (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzene sulfonamide
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …

Synthesis of three quasi liquid Schiff bases between hexanal and adenine, cytosine, and l-leucine, structural interpretation, quantum mechanical studies and …

P Surendar, T Pooventhiran, N Al-Zaqri… - Journal of Molecular …, 2021 - Elsevier
Hexanal, a naturally phytochemical known to inhibit phospholipase-D and facilitates
extension of shelf-life of fruits, vegetables and flower during storage. We attemped to …

Quasi liquid Schiff bases from trans-2-hexenal and cytosine and l-leucine with potential antieczematic and antiarthritic activities: Synthesis, structure and quantum …

P Surendar, T Pooventhiran, S Rajam… - Journal of Molecular …, 2021 - Elsevier
Abstract Trans-2-hexenal, a naturally compound found to be present abundantly in tea. We
synthesized imines/Schiff bases by the condensation of trans-2-hexenal with bioactive …

Isoflavonoid and furanochromone natural products as potential DNA gyrase inhibitors: Computational, spectral, and antimycobacterial studies

VR Jagatap, I Ahmad, D Sriram, J Kumari, DK Adu… - ACS …, 2023 - ACS Publications
In pursuit of new antitubercular agents, we here report the antimycobacterial (H37Rv) and
DNA gyrase inhibitory potential of daidzein and khellin natural products (NPs). We procured …

[PDF][PDF] Organic quasi-liquid Schiff bases from biomolecules: Synthesis, structure and quantum mechanical studies

P Surendar, T Pooventhiran… - … Res. Appl. Chem, 2023 - biointerfaceresearch.com
Phenylacetaldehyde, a naturally occurring plant-derived, occurs in vegetables and flowers
during storage. We synthesized Schiff bases using phenylacetaldehyde and three natural …

Schiff Bases from -ionone with Adenine, Cytosine, and -leucine Biomolecules: Synthesis, Structural Features, Electronic Structure, and Medicinal Activities

P Surendar, T Pooventhiran, S Rajam… - Journal of …, 2022 - World Scientific
Tea is a very important source of the terepenoid α-ionone, which is much appreciated as a
medicinal beverage. Schiff bases are a very important class of organic compounds usually …

Study of the structural features and solvent effects using ab initio molecular dynamics and energy decomposition analysis of atogepant in water and ammonia

T Pooventhiran, BS Gangadharappa, OAA Ali… - Journal of Molecular …, 2022 - Elsevier
Atogepant is a new drug developed for treating migraine in adults, marking it active with a
calcitonin gene-related peptide (CGRP) receptor antagonist, which can be used to prevent …

Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in …

FA Alharthi, N Al-Zaqri, A Alsalme, A Al-Taleb… - Journal of Molecular …, 2021 - Elsevier
Ripretinib is a recently developed drug for the treatment of adults with advanced
gastrointestinal stromal tumors. This paper reports an attempt to study this molecule by …