Synthesis, characterization, antimicrobial, density functional theory, and molecular docking studies of novel Mn (II), Fe (III), and Cr (III) complexes incorporating 4-(2 …

HM Abd El-Lateef, MM Khalaf, AA Amer, M Kandeel… - ACS …, 2023 - ACS Publications
This work synthesized three new CrAz2, MnAz2, and FeAz2 complexes and investigated
them using IR, mass, UV spectroscopy, elemental analysis, conductivity and magnetic tests …

Drug re‐engineering and repurposing: A significant and rapid approach to tuberculosis drug discovery

DS Reddy, A Sinha, A Kumar, VK Saini - Archiv der Pharmazie, 2022 - Wiley Online Library
The prevalence of tuberculosis (TB) remains the leading cause of death from a single
infectious agent, ranking it above all other contagious diseases. The problem to tackle this …

In silico drug design strategies for discovering novel tuberculosis therapeutics

CSC Canales, AR Pavan, JL Dos Santos… - Expert Opinion on …, 2024 - Taylor & Francis
Introduction Tuberculosis remains a significant concern in global public health due to its
intricate biology and propensity for developing antibiotic resistance. Discovering new drugs …

Antibacterial, antifungal, anti‐inflammatory evaluation, molecular docking, and density functional theory exploration of 2‐(1H‐benzimidazol‐2‐yl)guanidine mixed …

HM Abd El‐Lateef, MM Khalaf, AA Amer… - Applied …, 2024 - Wiley Online Library
The aim of the present framework is to synthesize and characterize new cobalt (II)(C1),
nickel (II)(C2), and copper (II)(C3) mixed‐ligand complexes incorporating bioactive 8 …

Coumarin Hydrazone Oxime Scaffolds as Potent Anti‐tubercular Agents: Synthesis, X‐ray crystal and Molecular Docking Studies

M Akki, DS Reddy, KS Katagi, A Kumar… - …, 2022 - Wiley Online Library
A series of new Coumarin hydrazone oxime scaffolds were synthesised as potential anti‐TB
agents. The structures of the scaffolds were confirmed by spectroscopic and analytical …

ON donor tethered copper (II) and vanadium (V) complexes as efficacious anti-TB and anti-fungal agents with spectroscopic approached HSA interactions

A Sinha, R Chaudhary, DS Reddy, M Kongot… - Heliyon, 2022 - cell.com
Antimicrobial drug resistance poses a significant threat worldwide, hence triggering an
urgent situation for developing feasible drugs. 3D-transition metal coordination complexes …

Design, synthesis, molecular docking, and biological evaluation of coumarin‐thymidine analogs as potent anti‐TB agents

DS Reddy, A Sinha, MM Kurjogi… - Archiv der …, 2023 - Wiley Online Library
With the intent to discover new antituberculosis (TB) compounds, coumarin‐thymidine
analogs were synthesized using second‐order nucleophilic substitution reactions of …

[PDF][PDF] A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme.

P Solanki, N Rana, PC Jha, A Manhas - Biocell, 2023 - cdn.techscience.cn
Cancer is considered one of the most lethal diseases responsible for causing deaths
worldwide. Although there have been many breakthroughs in anticancer development …

Catalytic role in Biginelli reaction: Synthesis and biological property studies of 2‐oxo/thioxo‐1, 2, 3, 4‐tetrahydropyrimidines

V Kamat, DS Reddy, A Kumar - Archiv der Pharmazie, 2023 - Wiley Online Library
The Biginelli reaction has received significant consideration in recent years due to its easily
accessible aldehyde, urea/thiourea, and active methylene compounds. When it comes to …

Coumarin-Pyrazole Linked Carbodithioates as Potential Anti-Сancer Agents: Design, Synthesis, Biological, and Molecular Docking Investigation

M Akki, DS Reddy, KS Katagi, A Kumar… - Russian Journal of …, 2022 - Springer
A series of novel benzyl 5-(substitutedphenyl)-3-(2-oxo-2 H-chromen-3-yl)-4, 5-dihydro-1 H-
pyrazole-1-carbodithioate were obtained. The anti-cancer activity of synthesised compounds …