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An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design Journal article
European Journal of Pharmaceutics and Biopharmaceutics, 2021,Volume: 158,Page: 336-346
Authors:  Gao,Hanlu;  Wang,Wei;  Dong,Jie;  Ye,Zhuyifan;  Ouyang,Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:1 | Submit date:2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
In Vivo Screening of Xanthones from Garcinia oligantha Identified Oliganthin H as a Novel Natural Inhibitor of Convulsions Journal article
Journal of Natural Products, 2020,Volume: 83,Issue: 12,Page: 3706-3716
Authors:  Gong,Guiyi;  Chen,Hanbin;  Kam,Hiotong;  Chan,Ging;  Tang,Yue Xun;  Wu,Man;  Tan,Hongsheng;  Tse,Yu Chung;  Xu,Hong Xi;  Lee,Simon Ming Yuen
Favorite |  | TC[WOS]:1 TC[Scopus]:1 | Submit date:2021/03/01
Emergence of spatio-temporal variations in chemotherapeutic drug efficacy: in-vitro and in-Silico 3D tumour spheroid studies Journal article
BMC Cancer, 2020,Volume: 20,Issue: 1
Authors:  Sheraton,M. V.;  Chiew,G. G.Y.;  Melnikov,V.;  Tan,E. Y.;  Luo,K. Q.;  Verma,N.;  Sloot,P. M.A.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/03/02
Cytotoxicity  Mitotic spindle stabilization  Pharmacodynamics  Pharmacokinetics  Reaction-diffusion model  
Interfering with S100B–effector protein interactions for cancer therapy Journal article
Drug Discovery Today, 2020,Volume: 25,Issue: 9,Page: 1754-1761
Authors:  Wu,Ke Jia;  Wang,Wanhe;  Wang,Hui Min David;  Leung,Chung Hang;  Ma,Dik Lung
Favorite |  | TC[WOS]:2 TC[Scopus]:2 | Submit date:2021/03/01
Organism dual RNA-seq reveals the importance of BarA/UvrY in Vibrio parahaemolyticus virulence Journal article
FASEB Journal, 2020,Volume: 34,Issue: 6,Page: 7561-7577
Authors:  Zhang W.;  Xie R.;  Zhang X.D.;  Lee L.T.O.;  Zhang H.;  Yang M.;  Peng B.;  Zheng J.
Adobe PDF | Favorite |  | TC[WOS]:1 TC[Scopus]:0 | Submit date:2021/03/03
Bara  C. Elegans  Organism Dual Rna-seq  Uvry  V. Parahaemolyticus  Virulence Factor  
Anti-inflammatory activities of Sigesbeckia glabrescens Makino: combined in vitro and in silico investigations Journal article
CHINESE MEDICINE, 2019,Volume: 14,Issue: 1
Authors:  Zhangfeng Zhong;  Qianru Zhang;  Hongxun Tao;  Wei Sang;  Liao Cui;  Wenan Qiang;  Wai San Cheang;  Yuanjia Hu;  Hua Yu;  Yitao Wang
Favorite |  | TC[WOS]:9 TC[Scopus]:9 | Submit date:2019/11/22
Sigesbeckia Glabrescens Makino  Infammation  Lipopolysaccharide  Docking  Tlr4  Nf-κb  
Novel Compound-Target Interactions Prediction for the Herbal Formula Hua-Yu-Qiang-Shen-Tong-Bi-Fang Journal article
CHEMICAL & PHARMACEUTICAL BULLETIN, 2019,Volume: 67,Issue: 8,Page: 778-785
Authors:  Zihao Wang;  Hui-Heng Lin;  Kegang Linghu;  Run-Yue Huang;  Guangyao Li;  Huali Zuo;  Hua Yu;  Ging Chan;  Yuanjia Hu
Favorite |  | TC[WOS]:3 TC[Scopus]:3 | Submit date:2020/01/06
Herbal Formula  Hua-yu-qiang-shen-tong-bi-fang  Natural Product  In-silico Target Identification  Network Link Prediction  
Aurone derivatives as Vps34 inhibitors that modulate autophagy Journal article
ACTA PHARMACEUTICA SINICA B, 2019,Volume: 9,Issue: 3,Page: 537-544
Authors:  Guodong Li;  Joshua William Boyle;  Chung-Nga Ko;  Wu Zeng;  Vincent Kam Wai Wong;  Jian-Bo Wan;  Philip Wai Hong Chan;  Dik-Lung Ma;  Chung-Hang Leung
Favorite |  | TC[WOS]:6 TC[Scopus]:5 | Submit date:2020/03/24
Autophagy  Natural Products  Vps34  Inhibitor  Structure-based Virtualscreening  Vesicle Trafficking  Heart Or Liver Damage  Aurone Derivative  
Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library Journal article
Journal of Medicinal Chemistry, 2019,Volume: 62,Issue: 6,Page: 2928-2937
Authors:  Shaikh F.;  Zhao Y.;  Alvarez L.;  Iliopoulou M.;  Lohans C.;  Schofield C.J.;  Padilla-Parra S.;  Siu S.W.I.;  Fry E.E.;  Ren J.;  Stuart D.I.
Favorite |  | TC[WOS]:16 TC[Scopus]:17 | Submit date:2019/04/04
Transdermal Cubic Phases of Metformin Hydrochloride: In Silico and in Vitro Studies of Delivery Mechanisms Journal article
MOLECULAR PHARMACEUTICS, 2018,Volume: 15,Issue: 8,Page: 3121-3132
Authors:  Yu, Xiang;  Jin, Yiguang;  Du, Lina;  Sun, Mengchi;  Wang, Jian;  Li, Qiu;  Zhang, Xiangyu;  Gao, Zisen;  Ding, Pingtian
Favorite |  | TC[WOS]:13 TC[Scopus]:12 | Submit date:2018/10/30
computational simulation  cubic phase  dissipative particle dynamics  metformin hydrochloride  molecular interaction  transdermal delivery