Exploring α, β-unsaturated carbonyl compounds against bacterial efflux pumps via computational approach
S Dey, S Rathod, K Gumphalwad, N Yadav… - Journal of …, 2023 - Taylor & Francis
Antibiotic resistance has become a pressing global health crisis, with bacterial infections
increasingly difficult to treat due to the emergence of multidrug resistance. This study aims to …
increasingly difficult to treat due to the emergence of multidrug resistance. This study aims to …
Identification of potential biogenic chalcones against antibiotic resistant efflux pump (AcrB) via computational study
S Rathod, S Dey, S Pawar, R Dhavale… - Journal of …, 2024 - Taylor & Francis
The cases of bacterial multidrug resistance are increasing every year and becoming a
serious concern for human health. Multidrug efflux pumps are key players in the formation of …
serious concern for human health. Multidrug efflux pumps are key players in the formation of …
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 …
human pancreatic lipase, an enzyme involved in fat digestion, offers a potential strategy for …
Identification of potential hits against fungal lysine deacetylase Rpd3 via molecular docking, molecular dynamics simulation, DFT, in-silico ADMET and drug-likeness …
S Rathod, D Bhande, S Pawar, K Gumphalwad… - Chemistry Africa, 2024 - Springer
Fungal histone deacetylases (HDACs) are enzymes known for their crucial role in gene
expression regulation through histone deacetylation, leading to chromatin compaction and …
expression regulation through histone deacetylation, leading to chromatin compaction and …
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 …
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 …
efflux capabilities of efflux pump in AcrB (Acriflavine Resistance Protein B) protein in Gram …
[HTML][HTML] Identification of DprE1 inhibitors for tuberculosis through integrated in-silico approaches
Abstract Decaprenylphosphoryl-β-D-ribose-2′-epimerase (DprE1), a crucial enzyme in the
process of arabinogalactan and lipoarabinomannan biosynthesis, has become the target of …
process of arabinogalactan and lipoarabinomannan biosynthesis, has become the target of …
Exploring binding potential of two new indole alkaloids from Nauclea officinalis against third and fourth generation EGFR: druglikeness, in silico ADMET, docking …
S Rathod, S Shinde, P Choudhari… - Natural Product …, 2024 - Taylor & Francis
This study investigates the anti-cancer potential of recently discovered indole alkaloids from
Nauclea Officinalis against third and fourth-generation EGFR mutations using computational …
Nauclea Officinalis against third and fourth-generation EGFR mutations using computational …
[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 …
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 …
homeostasis. Our goal in this paper is to focus on the application of advanced computational …