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Showing results 1 to 14 of 14

SCIESCOPUS
Computational insights into allosteric inhibition of focal adhesion kinase: A combined pharmacophore modeling and molecular dynamics approach

Kumar, Vikas; Singh, Pooja; Parate, Shraddha; Singh, Rajender; Ro, Hyeon-Su; Song, Kyoung Seob; Lee, Keun Woo; Park, Yeong-Min

ArticleIssue Date2024CitationJournal of Molecular Graphics and Modelling, v.130PublisherElsevier BV
SCIESCOPUS
Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeuticsopen access

Parate, Shraddha; Kumar, Vikas; Danishuddin; Hong, Jong Chan; Lee, Keun Woo

ArticleIssue Date2021CitationINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, v.22, no.10PublisherMDPI
SCIESCOPUS
Computational Simulations Identify Pyrrolidine-2,3-Dione Derivatives as Novel Inhibitors of Cdk5/p25 Complex to Attenuate Alzheimer's Pathologyopen access

Zeb, Amir; Kim, Donghwan; Alam, Sayed Ibrar; Son, Minky; Kumar, Raj; Rampogu, Shailima; Parameswaran, Saravanan; Shelake, Rahul Mahadev; Rana, Rabia Mukhtar; Parate, Shraddha, et al.

ArticleIssue Date2019CitationJOURNAL OF CLINICAL MEDICINE, v.8, no.5PublisherMDPI
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
Discovery of Small Molecules That Target Vascular Endothelial Growth Factor Receptor-2 Signalling Pathway Employing Molecular Modelling Studiesopen access

Rampogu, Shailima; Baek, Ayoung; Park, Chanin; Son, Minky; Parate, Shraddha; Parameswaran, Saravanan; Park, Yohan; Shaik, Baji; Kim, Ju Hyun; Park, Seok Ju, et al.

ArticleIssue Date2019CitationCELLS, v.8, no.3PublisherMDPI
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 S.A.
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
Identification of Flavonoids as Putative ROS-1 Kinase Inhibitors Using Pharmacophore Modeling for NSCLC Therapeuticsopen access

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

ArticleIssue Date2021CitationMOLECULES, v.26, no.8PublisherMDPI
SCIESCOPUS
Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methodsopen access

Kulkarni, Apoorva M.; Kumar, Vikas; Parate, Shraddha; Lee, Gihwan; Yoon, Sanghwa; Lee, Keun Woo

ArticleIssue Date2022CitationInternational Journal of Molecular Sciences, v.23, no.3PublisherMultidisciplinary Digital Publishing Institute (MDPI)
SCIESCOPUS
Investigation of Macrocyclic mTOR Modulators of Rapamycin Binding Site via Pharmacoinformatics Approaches

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

ArticleIssue Date2023CitationComputational Biology and Chemistry, v.104, pp 107875PublisherPergamon Press Ltd.
SCIESCOPUS
Investigation of Marine-Derived Natural Products as Raf Kinase Inhibitory Protein (RKIP)-Binding Ligandsopen access

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

ArticleIssue Date2021CitationMARINE DRUGS, v.19, no.10PublisherMDPI
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
Modeling of FAK-PROTAC candidates from GSK2256098 analogs for targeted protein degradation

Kumar, Vikas; Parate, Shraddha; Ro, Hyeon-Su; Jung, Tae Sung; Lee, Keun Woo

ArticleIssue Date2024CitationBiochemical and Biophysical Research Communications, v.740PublisherAcademic Press
SCIESCOPUS
Putative dual inhibitors of mTOR and RET kinase from natural products: Pharmacophore-based hierarchical virtual screening

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

ArticleIssue Date2022CitationJournal of Molecular Liquids, v.350PublisherElsevier BV
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