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SCIESCOPUS
3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitorsopen access

Kumar, Vikas; Parate, Shraddha; Danishuddin; Zeb, Amir; Singh, Pooja; Lee, Gihwan; Jung, Tae Sung; Lee, Keun Woo; Ha, Min Woo

ArticleIssue Date2022CitationFRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, v.12PublisherFRONTIERS MEDIA SA
SCIESCOPUS
A Computational Approach with Biological Evaluation: Combinatorial Treatment of Curcumin and Exemestane Synergistically Regulates DDX3 Expression in Cancer Cell Linesopen access

Rampogu, Shailima; Kim, Seong Min; Son, Minky; Baek, Ayoung; Park, Chanin; Lee, Gihwan; Kim, Yumi; Kim, Gon Sup; Kim, Ju Hyun; Lee, Keun Woo

ArticleIssue Date2020CitationBIOMOLECULES, v.10, no.6PublisherMDPI
SCIESCOPUS
Analogues of Dihydroflavonol and Flavone as Protein Tyrosine Phosphatase 1B Inhibitors from the Leaves of Artocarpus elasticusopen access

Shah, Abdul Bari; Baiseitova, Aizhamal; Lee, Gihwan; Kim, Jeong Ho; Park, Ki Hun

ArticleIssue Date2024CitationACS OMEGA, v.9, no.8, pp 9053 - 9062PublisherAMER CHEMICAL SOC
SCIESCOPUS
Computational Approaches to Discover Novel Natural Compounds for SARS-CoV-2 Therapeuticsopen access

Rampogu, Shailima; Lee, Gihwan; Kulkarni, Apoorva M.; Kim, Donghwan; Yoon, Sanghwa; Kim, Myeong Ok; Lee, Keun Woo

ArticleIssue Date2021CitationCHEMISTRYOPEN, v.10, no.5, pp 593 - 599PublisherWILEY-V C H VERLAG GMBH
SCIESCOPUS
Computational Simulations Highlight the IL2R alpha Binding Potential of Polyphenol Stilbenes from Fenugreekopen access

Kulkarni, Apoorva M.; Parate, Shraddha; Lee, Gihwan; Kim, Yongseong; Jung, Tae Sung; Lee, Keun Woo; Ha, Min Woo

ArticleIssue Date2022CitationMOLECULES, v.27, no.4PublisherMDPI
SCIESCOPUS
Development of Machine Learning Models for Accurately Predicting and Ranking the Activity of Lead Molecules to Inhibit PRC2 Dependent Canceropen access

Danishuddin; Kumar, Vikas; Parate, Shraddha; Bahuguna, Ashutosh; Lee, Gihwan; Kim, Myeong Ok; Lee, Keun Woo

ArticleIssue Date2021CitationPHARMACEUTICALS, v.14, no.7PublisherMDPI
SCIESCOPUS
Eucalyptus globulus leaf-isolated isorhapontin serves as a natural insecticide via acetylcholinesterase inhibition

Park, Jae Yeon; Kang, Seong Doo; Son, Yun Gon; Kim, Ju Yeon; Lee, Gihwan; Kim, Kwang Dong; Lee, Sang Won; Kim, Jeong Yoon

ArticleIssue Date2024CitationPesticide Biochemistry and Physiology, v.200PublisherAcademic Press
SCIESCOPUS
Exploring the Binding Interaction of Raf Kinase Inhibitory Protein With the N-Terminal of C-Raf Through Molecular Docking and Molecular Dynamics Simulationopen access

Parate, Shraddha; Rampogu, Shailima; Lee, Gihwan; Hong, Jong Chan; Lee, Keun Woo

ArticleIssue Date2021CitationFRONTIERS IN MOLECULAR BIOSCIENCES, v.8PublisherFRONTIERS MEDIA SA
SCIESCOPUS
Identification of CDK7 Inhibitors from Natural Sources Using Pharmacoinformatics and Molecular Dynamics Simulationsopen access

Kumar, Vikas; Parate, Shraddha; Thakur, Gunjan; Lee, Gihwan; Ro, Hyeon-Su; Kim, Yongseong; Kim, Hong Ja; Kim, Myeong Ok; Lee, Keun Woo

ArticleIssue Date2021CitationBIOMEDICINES, v.9, no.9PublisherMDPI
SCIESCOPUS
Inhibitory mechanism of O-methylated quercetins, highly potent beta-secretase inhibitors isolated from Caragana balchaschensis (Kom.) Pojark

Zhumanova, Kamila; Lee, Gihwan; Baiseitova, Aizhamal; Shah, Abdul Bari; Kim, Jeong Ho; Kim, Jeong Yoon; Lee, Keun Woo; Park, Ki Hun

ArticleIssue Date2021CitationJournal of Ethnopharmacology, v.272PublisherElsevier BV
SCIESCOPUS
Marine-Derived Natural Products as ATP-Competitive mTOR Kinase Inhibitors for Cancer Therapeuticsopen access

Parate, Shraddha; Kumar, Vikas; Lee, Gihwan; Rampogu, Shailima; Hong, Jong Chan; Lee, Keun Woo

ArticleIssue Date2021CitationPHARMACEUTICALS, v.14, no.3PublisherMDPI
SCIESCOPUS
Molecular Docking and Molecular Dynamics Simulations Discover Curcumin Analogue as a Plausible Dual Inhibitor for SARS-CoV-2open access

Rampogu, Shailima; Lee, Gihwan; Park, Jun Sung; Lee, Keun Woo; Kim, Myeong Ok

ArticleIssue Date2022CitationINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, v.23, no.3PublisherMDPI
SCIESCOPUS
Novel Butein Derivatives Repress DDX3 Expression by Inhibiting PI3K/AKT Signaling Pathway in MCF-7 and MDA-MB-231 Cell Linesopen access

Rampogu, Shailima; Kim, Seong Min; Shaik, Baji; Lee, Gihwan; Kim, Ju Hyun; Kim, Gon Sup; Lee, Keun Woo; Kim, Myeong Ok

ArticleIssue Date2021CitationFRONTIERS IN ONCOLOGY, v.11PublisherFRONTIERS MEDIA SA
SCIESCOPUS
Pharmacophore-Oriented Identification of Potential Leads as CCR5 Inhibitors to Block HIV Cellular Entryopen access

Singh, Pooja; Kumar, Vikas; Lee, Gihwan; Jung, Tae Sung; Ha, Min Woo; Hong, Jong Chan; Lee, Keun Woo

ArticleIssue Date2022CitationINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, v.23, no.24PublisherMDPI
SCIESCOPUS
Soybean phytochemicals responsible for bacterial neuraminidase inhibition and their characterization by UPLC-ESI-TOF/MS

Baiseitova, Aizhamal; Ban, Yeong Jun; Kim, Jeong Yoon; Lee, Gihwan; Shah, Abdul Bari; Kim, Jeong Ho; Lee, Yong Hyun; Park, Ki Hun

ArticleIssue Date2022CitationFOOD & FUNCTION, v.13, no.13, pp 6923 - 6933PublisherROYAL SOC CHEMISTRY
SCIESCOPUS
Unravelling the therapeutic potential of marine drugs as SARS-CoV-2 inhibitors: An insight from essential dynamics and free energy landscapeopen access

Rampogu, Shailima; Gajula, Rajesh Goud; Lee, Gihwan; Kim, Myeong Ok; Lee, Keun Woo

ArticleIssue Date2021CitationComputers in Biology and Medicine, v.135PublisherPergamon Press Ltd.
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