Spectroscopic, theoretical and computational investigations of novel benzo [b] thiophene based ligand and its M (II) complexes: As high portentous antimicrobial and …

NG Yernale, BS Mathada, S Shivprasad… - … Acta Part A: Molecular …, 2023 - Elsevier
The reaction of 3-chlorobenzo [b] thiophene-2-carbohydrazide with 4-(diethylamino)
salicylaldehyde gave the new ligand; 3-chloro-N'-(4-(diethylamino)-2-hydroxybenzylidene) …

Naphtho [2, 1-b] furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: synthesis, DFT calculations, drug-likeness profile …

DL Roopa, K Shyamsunder, P Karunakar… - Journal of Molecular …, 2023 - Elsevier
Napthofuran and its fused heterocyclic derivatives evaluated with varied biological activity
functional groups comprise an important class of compounds for new chemical entities. We …

Exploration of Indolo [3, 2c] isoquinoline derived triazoles as potential antimicrobial and DNA cleavage agents: synthesis, DFT calculations, and molecular modeling …

SM Basavarajaiah, J Badiger, NG Yernale, N Gupta… - Bioorganic …, 2023 - Elsevier
Indole and its derivatives are well-known assorted motif in drug design and development.
We here in reporting synthesis of new 9-chloro-1-(4-substituted phenyl)-12H-indolo [2, 3 …

Application of Asymmetric Catalysis in Chiral Pesticide Active Molecule Synthesis

X Yang, S Jiang, Z Jin, T Li - Journal of Agricultural and Food …, 2024 - ACS Publications
The different configurations of chiral pesticides generally have significant influence on their
biological activities. Chiral agrochemicals with high optical purities have become a …

Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies

BS Mathada, NJ Basha, M Javeed… - Journal of …, 2024 - Taylor & Francis
Pyrimidine and its derivatives are associated with varieties of biological properties.
Therefore, we herein reported the synthesis of four novel pyrimidines (2, 3, and 4a, b) …

A redox-neutral weak carbonyl chelation assisted C4–H allylation of indoles with vinylcyclopropanes

S Basak, T Paul, T Punniyamurthy - Chemical Communications, 2023 - pubs.rsc.org
A weak acyl chelation-assisted distal C4–H allylation of indoles has been accomplished
using vinylcyclopropanes as an allylating agent under redox-neutral ruthenium (II) catalysis …

Synthesis, structural investigations, DFT calculations, and molecular docking studies of novel 2-(substituted-aryloxymethyl)-5-(pyridin-4-yl)-1, 3, 4-oxadiazoles: Highly …

M Datar, R Dhanwad, M Javeed… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Abstract We report derivatives of 2, 5-disubstituted-1, 3, 4-oxadiazole as powerful anti-TB
and antioxidant compounds. Using substituted aryloxy acetic acids (2a–f) and isoniazid (3) …

Synthetic Organic Molecules as Metallic Corrosion Inhibitors: General Aspects and Trends

RCS Lessa - Organics, 2023 - mdpi.com
Organic molecules are gaining special attention over the last years in the corrosion area
thanks to their general low achievable cytotoxicity, structural versatility, and environmentally …

Highly efficient, catalyst-free, one-pot sequential four-component synthesis of novel spiroindolinone-pyrazole scaffolds as anti-Alzheimer agents: in silico study and …

H Pourtaher, Y Mohammadi, A Hasaninejad… - RSC Medicinal …, 2024 - pubs.rsc.org
Alzheimer's disease is a neurodegenerative disorder that impacts memory, thinking, and
behavior, and currently, there is no effective cure available for its treatment. This study …

In silico, in vitro and docking exploration for some novel coordination complexes derived from bioactive indole moiety

NG Yernale, BS Mathada, G Baburao, S Sahane… - Journal of Molecular …, 2023 - Elsevier
Abstract The reaction of 5-methyl-3-phenyl-1H-indole-2-carbohydrazide with 4-
methoxybenzaldehyde gave the new ligand molecule; N'-(4-methoxybenzylidene)-5-methyl …