Current Topics in Medicinal Chemistry

Graphical Abstracts:
pp. i-vi(6)

Editorial (Thematic Issue: From Chemoinformatics to Nanoinformatics: New Tools for Drug Discovery and Nanoparticles Design in Medicinal Chemistry)
pp. 1767-1767(1)
Authors: A. Toropov, Andrey; P. Toropova, Alla

Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design
pp. 1768-1779(12)
Authors: M. Veselinovic, Aleksandar; B. Veselinovic, Jovana; V. Zivkovic, Jelena; M. Nikolic, Goran

Computer-Aided Drug Design of Bioactive Natural Products
pp. 1780-1800(21)
Authors: Prachayasittikul, Veda; Worachartcheewan, Apilak; Shoombuatong, Watshara; Songtawee, Napat; Simeon, Saw; Prachayasittikul, Virapong; Nantasenamat, Chanin

Multi-Target QSAR Approaches for Modeling Protein Inhibitors. Simultaneous Prediction of Activities Against Biomacromolecules Present in Gram-Negative Bacteria
pp. 1801-1813(13)
Authors: Speck-Planche, Alejandro; Cordeiro, M.N.D.S.

On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches
pp. 1814-1826(13)
Authors: Worachartcheewan, Apilak; Prachayasittikul, Veda; Anuwongcharoen, Nuttapat; Shoombuatong, Watshara; Prachayasittikul, Virapong; Nantasenamat, Chanin

A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform
pp. 1827-1836(10)
Authors: Melagraki, Georgia; Afantitis, Antreas

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials
pp. 1837-1844(8)
Authors: Toropov, Andrey A.; Rallo, Robert; Toropova, Alla P.

Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes
pp. 1845-1858(14)
Authors: Reis, H.; Rasulev, B.; Papadopoulos, M.G.; Leszczynski, J.

Ab Initio Studies of Anatase TiO2 (101) Surface-supported Au8 Clusters
pp. 1859-1867(9)
Authors: Mikolajczyk, A.; Pinto, H. P.; Gajewicz, A.; Puzyn, T.; Leszczynski, J.

Nano-QSPR Modelling of Carbon-Based Nanomaterials Properties
pp. 1868-1886(19)
Author: Salahinejad, Maryam

Metal Oxide Nanomaterials in Nanomedicine: Applications in Photodynamic Therapy and Potential Toxicity
pp. 1887-1900(14)
Authors: He, Xiaojia; G. Aker, Winfred; Huang, Ming-Ju; D. Watts, John; Hwang, Huey-Min

Computational Study of Nanosized Drug Delivery from Cyclodextrins, Crown Ethers and Hyaluronan in Pharmaceutical Formulations
pp. 1901-1913(13)
Authors: Torrens, Francisco; Castellano, Gloria

Toxicity of 11 Metal Oxide Nanoparticles to Three Mammalian Cell Types In Vitro
pp. 1914-1929(16)
Authors: Ivask, Angela; Titma, Tiina; Visnapuu, Meeri; Vija, Heiki; Kakinen, Aleksandr; Sihtmae, Mariliis; Pokhrel, Suman; Madler, Lutz; Heinlaan, Margit; Kisand, Vambola; Shimmo, Ruth; Kahru, Anne

Predicting Cell Association of Surface-Modified Nanoparticles Using Protein Corona Structure - Activity Relationships (PCSAR)
pp. 1930-1937(8)
Authors: Kamath, Padmaja; Fernandez, Alberto; Giralt, Francesc; Rallo, Robert