Molecular Docking and Molecular Dynamics Simulations Discover Curcumin Analogue as a Plausible Dual Inhibitor for SARS-CoV-2

Shailima Rampogu, Gihwan Lee, Jun Sung Park, +2

International Journal of Molecular Sciences

Molecular BiologyComputational ChemistryChemistryChemical BiologyMolecular Dynamics +14

Inhibitory mechanism of O-methylated quercetins, highly potent β-secretase inhibitors isolated from Caragana balchaschensis (Kom.) Pojark

Kamila Zhumanova, Gihwan Lee, Aizhamal Baiseitova, +5

Journal of Ethnopharmacology

Molecular PharmacologyMedicinal ChemistryInhibitory MechanismPotent β-Secretase InhibitorsO-methylated Quercetins +9

Flavonoids from the Grains of C1/R-S Transgenic Rice, the Transgenic Oryza sativa spp. <i>japonica</i>, and Their Radical Scavenging Activities

Jin‐Gyeong Cho, Na‐Young Song, Tae Gyu Nam, +8

Journal of Agricultural and Food Chemistry

In Silico Study Identified Methotrexate Analog as Potential Inhibitor of Drug Resistant Human Dihydrofolate Reductase for Cancer Therapeutics

Rabia Mukhtar Rana, Shailima Rampogu, Noman Bin Abid, +7

Molecules

Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2

Vikas Kumar, Shraddha Parate, Sanghwa Yoon, +2

Frontiers in Microbiology

Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer

Shailima Rampogu, Chanin Park, Doneti Ravinder, +11

Oxidative Medicine and Cellular Longevity

Breast OncologyChemoprevention StrategyMedicinal ChemistryAnti-cancer AgentGroningen Machine +14

Identification of ACK1 inhibitors as anticancer agents by using computer-aided drug designing

Vikas Kumar, Raj Kumar, Shraddha Parate, +4

Journal of Molecular Structure

Computer-aided Drug DesigningMedicinal ChemistryDrug TargetDrug DesignMedicine +11

Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methods

Apoorva Kulkarni, Vikas Kumar, Shraddha Parate, +3

International Journal of Molecular Sciences

Medicinal ChemistryDrug TargetBiochemistryHydrogen Bond DonorsMedicine +11

Structure-Based Drug Designing Recommends HDAC6 Inhibitors To Attenuate Microtubule-Associated Tau-Pathogenesis

Amir Zeb, Chanin Park, Shailima Rampogu, +3

ACS Chemical Neuroscience

Molecular DockingMolecular PharmacologyProtein FunctionDrug TargetBiochemistry +13

REDD1 promotes obesity-induced metabolic dysfunction via atypical NF-κB activation

Dong‐Keon Lee, Taesam Kim, Junyoung Byeon, +11

Nature Communications