Identification of hits as anti-obesity agents against human pancreatic lipase via docking, drug-likeness, in-silico ADME(T), pharmacophore, DFT, molecular dynamics …

S Choudhari, SK Patil, S Rathod - Journal of Biomolecular …, 2023 - Taylor & Francis
Obesity, characterized by excessive fat accumulation, is a major health concern. Inhibition of
human pancreatic lipase, an enzyme involved in fat digestion, offers a potential strategy for …

Synthesis, Characterization, In Silico DFT, Molecular Docking, and Dynamics Simulation Studies of Phenylhydrazono Phenoxyquinolones for Their Hypoglycemic …

N Lohitha, PH Kumar, S Sarveswari, S Rathod… - ACS …, 2024 - ACS Publications
A series of novel 24 phenylhydrazono phenoxyquinoline derivatives were synthesized with
moderate to excellent yield and screened for their efficacy against the α-amylase enzyme …

High-throughput computational screening for identification of potential hits against bacterial Acriflavine resistance protein B (AcrB) efflux pump

S Rathod, S Dey, P Choudhari, D Mahuli… - Journal of …, 2024 - Taylor & Francis
Antibiotic resistance is a pressing global health challenge, driven in part by the remarkable
efflux capabilities of efflux pump in AcrB (Acriflavine Resistance Protein B) protein in Gram …

[HTML][HTML] Novel sulphonamide-azaheterocycle conjugates and their anti-cancer, anti-inflammatory, anti-diabetic, anti-angiogenesis activity and molecular docking …

P Patil, N Nerlekar, S Rathod, P Mhaldar, T Najm… - Results in …, 2024 - Elsevier
The present study reports the synthesis of sulphonamide-azaheterocycle conjugates (3 aj)
and evaluates its in vitro anticancer activity against breast cancer cell line (MCF-7) and liver …

[PDF][PDF] IN SILICO EXPLORATION OF BERBERINE AS A POTENTIAL WOUND HEALING AGENT VIA NETWORK PHARMACOLOGY, MOLECULAR DOCKING, AND …

R SACHDEO, C KHANWELKAR, A SHETE - Int J App Pharm, 2024 - academia.edu
Objective: Wound healing remains a complex biological process crucial for tissue repair and
homeostasis. Our goal in this paper is to focus on the application of advanced computational …