Search results for "CoMSIA"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
164	Kirandeep Kaur, Tanaji T. Talele	Structure-based CoMFA and CoMSIA study of indolinone inhibitors of PDK1.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	3D QSAR, CoMFA, CoMSIA, Indolinone, PDK1
76	F. A. Pasha, Muhammad Muddassar, So Ha Lee, Taebo Sim, Jung-Mi Hah, Seung Joo Cho	In silico Ligand-Based (LB) and Docking-Based (DB) 3D-QSAR Study of Potent Chk2 Inhibitors.	FBIT	2007	DBLP DOI BibTeX RDF
58	Sivaprakasam Prasanna, Pankaj R. Daga, Aihua Xie, Robert J. Doerksen	Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	3D-QSAR, CoMFA, CoMSIA, GSK-3, Maleimides, Docking
51	Yubin Ji, Ran Tian, Wenhan Lin	QSAR and Molecular Docking Study of a Series of Combretastatin Analogues Tubulin Inhibitors.	LSMS (2)	2007	DBLP DOI BibTeX RDF
29	Dhara M. Chhatbar, Udit J. Chaube, Vivek K. Vyas, Hardik G. Bhatt	CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer.	Comput. Biol. Chem.	2019	DBLP DOI BibTeX RDF
29	M. C. Sharma, S. Jain, R. Sharma	Trifluorophenyl-based inhibitors of dipeptidyl peptidase-IV as antidiabetic agents: 3D-QSAR COMFA, CoMSIA methodologies.	Netw. Model. Anal. Health Informatics Bioinform.	2018	DBLP DOI BibTeX RDF
29	Shuqun Zhang, Zichun Lin, Yinglan Pu, Yunqin Zhang, Li Zhang, Zhili Zuo	Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors.	Comput. Biol. Chem.	2017	DBLP DOI BibTeX RDF
29	Shravan Kumar Gunda, Manasa Reddy Gummi, Jaheer Mohmed, Ayub Shaik	3D-QSAR (CoMFA, CoMSIA) and molecular docking studies of natural flavonoid derivatives to explore structural requirements for MCF-7 cell line inhibition.	Int. J. Comput. Biol. Drug Des.	2017	DBLP DOI BibTeX RDF
29	Neelamma Mantri, Jaheer Mohmed, Seshagiri Bandi, G. H. Anuradha, Mounica Bandela	CoMFA, CoMSIA analysis of 4-[5-(4-Fluoro-benzyl-1H-pyrazol-3-yl]-pyridine derivatives as CYP3A4 inhibitors.	Int. J. Comput. Biol. Drug Des.	2017	DBLP DOI BibTeX RDF
29	Sathya Babu, Honglae Sohn, Thirumurthy Madhavan	Computational Analysis of CRTh2 receptor antagonist: A Ligand-based CoMFA and CoMSIA approach.	Comput. Biol. Chem.	2015	DBLP DOI BibTeX RDF
29	Leo Ghemtio, Anne Soikkeli, Marjo Yliperttula, Jouni Hirvonen, Moshe Finel, Henri Xhaard	SVM Classification and CoMSIA Modeling of UGT1A6 Interacting Molecules.	J. Chem. Inf. Model.	2014	DBLP DOI BibTeX RDF
29	Varnavas D. Mouchlis, Georgia Melagraki, Thomas M. Mavromoustakos, George Kollias, Antreas Afantitis	Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA.	J. Chem. Inf. Model.	2012	DBLP DOI BibTeX RDF
29	Rohith Kumar Anugolu, Shravan Kumar Gunda, Mahmood Shaik	3D QSAR CoMFA/CoMSIA and docking studies on azole dione derivatives, as anti-cancer inhibitors.	Int. J. Comput. Biol. Drug Des.	2012	DBLP DOI BibTeX RDF
29	Prashant Revan Murumkar, Vishal Prakash Zambre, Mange Ram Yadav	Development of predictive pharmacophore model for in silico screening, and 3D QSAR CoMFA and CoMSIA studies for lead optimization, for designing of potent tumor necrosis factor alpha converting enzyme inhibitors.	J. Comput. Aided Mol. Des.	2010	DBLP DOI BibTeX RDF
29	Kuei-Chung Shih, Chun-Yuan Lin, Jiayi Zhou, Shih-Han Huang, Chuan Yi Tang	Develop integration modeling approach for discovery neuraminidase inhibitors in silico based on pharmacophore and CoMSIA models.	BIBM Workshops	2010	DBLP DOI BibTeX RDF
29	Vishal Prakash Zambre, Prashant Revan Murumkar, Rajani Giridhar, Mange Ram Yadav	Structural Investigations of Acridine Derivatives by CoMFA and CoMSIA Reveal Novel Insight into Their Structures toward DNA G-Quadruplex Mediated Telomerase Inhibition and Offer a Highly Predictive 3D-Model for Substituted Acridines.	J. Chem. Inf. Model.	2009	DBLP DOI BibTeX RDF
29	Beilei Lei, Juan Du 0003, Shuyan Li, Huanxiang Liu, Yueying Ren, Xiaojun Yao	Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors.	J. Comput. Aided Mol. Des.	2008	DBLP DOI BibTeX RDF
29	Agnes Kapou, Nikolas-P. Benetis, Serdar Durdagi, Sotiris Nikolaropoulos, Thomas M. Mavromoustakos	3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards.	J. Chem. Inf. Model.	2008	DBLP DOI BibTeX RDF
29	Maulik R. Patel, Jonathan R. Dimmock, Tanaji T. Talele	CoMFA and CoMSIA Studies on 1, 3-Bis(benzylidene)-3, 4-dihydro-1H-naphthalen-2-one, 2, 6-Bis(benzylidene)cyclohexanone, and 3, 5-Bis(benzylidene)-4-piperidone Series of Cytotoxic Compounds.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
29	Yan-Zhen He, Yuan-Xiang Li, Xiao-Lei Zhu, Zhen Xi, Congwei Niu, Jian Wan 0004, Li Zhang, Guangfu Yang	Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
29	Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang	QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.	J. Comput. Aided Mol. Des.	2006	DBLP DOI BibTeX RDF
29	Elizabeth A. Amin, William J. Welsh	Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1' and S1-S2' Binding Modes.	J. Chem. Inf. Model.	2006	DBLP DOI BibTeX RDF
29	Channa K. Hattotuwagama, Irini A. Doytchinova, Darren R. Flower	In Silico Prediction of Peptide Binding Affinity to Class I Mouse Major Histocompatibility Complexes: A Comparative Molecular Similarity Index Analysis (CoMSIA) Study.	J. Chem. Inf. Model.	2005	DBLP DOI BibTeX RDF
29	Huabei Zhang, Hua Li, Chunping Liu	CoMFA, CoMSIA, and Molecular Hologram QSAR Studies of Novel Neuronal nAChRs Ligands-Open Ring Analogues of 3-Pyridyl Ether.	J. Chem. Inf. Model.	2005	DBLP DOI BibTeX RDF
29	José L. Medina-Franco, Sergio Rodríguez-Morales, Cecilia Juárez-Gordiano, Alicia Hernández-Campos, Rafael Castillo	Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type.	J. Comput. Aided Mol. Des.	2004	DBLP DOI BibTeX RDF
29	Gerhard Bringmann, Christian Rummey	3D QSAR Investigations on Antimalarial Naphthylisoquinoline Alkaloids by Comparative Molecular Similarity Indices Analysis (CoMSIA), Based on Different Alignment Approaches.	J. Chem. Inf. Comput. Sci.	2003	DBLP DOI BibTeX RDF
29	Irini A. Doytchinova, Darren R. Flower	A Comparative Molecular Similarity Index Analysis (CoMSIA) study identifies an HLA-A2 binding supermotif.	J. Comput. Aided Mol. Des.	2002	DBLP DOI BibTeX RDF
29	Pierre Ducrot, Charles R. Andrianjara, Roger Wrigglesworth	CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV.	J. Comput. Aided Mol. Des.	2001	DBLP DOI BibTeX RDF
29	Gerhard Klebe, Ute Abraham	Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries.	J. Comput. Aided Mol. Des.	1999	DBLP DOI BibTeX RDF
25	Muhammad Muddassar, F. A. Pasha, Hwan Won Chung, Kyung Ho Yoo, Chang Hyun Oh, Seung Joo Cho	The Receptor Guided 3D-QSAR Method is a Powerful Tool to Design More Potent IGF-1R Inhibitors.	FBIT	2007	DBLP DOI BibTeX RDF