Current Computer - Aided Drug Design

Graphical Abstracts
pp. i-v(5)

Synthesis, admetSAR Predictions, DPPH Radical Scavenging Activity, and Potent Anti-mycobacterial Studies of Hydrazones of Substituted 4-(anilino methyl) benzohydrazides (Part 2)
pp. 493-503(11)
Authors: Desale, Vijay J.; Mali, Suraj N.; Thorat, Bapu R.; Yamgar, Ramesh S.

Pharmacophore Generation, Quantitative Structure-Activity Relationship (QSAR), and Molecular Dynamic Simulation of Newly Substituted N-(6- Chloro-3-cyano-4-phenyl-4H-chromen-2-yl)-2-(4-chloro-phenoxy)-acetamide for Anticancer Activity
pp. 504-510(7)
Authors: Chauhan, Divya; Kumar, Sushil; Hashim, Syed R.; Raj, Vinit

Elaboration of Novel TTK1 Inhibitory Leads via QSAR-Guided Selection of Crystallographic Pharmacophores Followed By In Vitro Assay
pp. 511-522(12)
Authors: Al-Sha’er, Mahmoud A.; Taha, Mutasem O.

Identification of Potential Inhibitors Against the TGF-β/BMPs-Activin Receptor- like Kinase 1 Signal Pathway
pp. 523-537(15)
Authors: Wu, Miao-Miao; Liu, Mei-Lin; Zhou, Jing; Wang, Yi-Da; Wu, Chuan-Fang; Bao, Jin-Ku

Application of Molecular Docking for the Development of Improved HIV-1 Reverse Transcriptase Inhibitors
pp. 538-549(12)
Authors: Soltani, Arash; Hashemy, Seyed I.; Avval, Farnaz Zahedi; Rafatpanah, Houshang; Rezaee, Seyed Abdolrahim; Griffith, Renate; Mashkani, Baratali

A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol
pp. 550-559(10)
Authors: Khan, Rameez J.; Jha, Rajat Kumar; Amera, Gizachew Muluneh; Muthukumaran, Jayaraman; Singh, Rashmi Prabha; Singh, Amit Kumar

Synthesis and In Silico Studies of C-4 Substituted Coumarin Analogues as Anticancer Agents
pp. 560-570(11)
Authors: Dandriyal, Jyoti; Kaur, Kamalpreet; Jaitak, Vikas

Comparative COX I Molecular Docking of Phyto-chemicals (Flavonoids, Alkaloids, Lignans and Terpenoids) for Anti-platelet Aggregation Dynamics
pp. 571-578(8)
Authors: Balkrishna, Acharya; Pokhrel, Subarna; Varshney, Anurag

Combined CADD and Virtual Screening to Identify Novel Nonpeptidic Falcipain-2 Inhibitors
pp. 579-588(10)
Authors: Rajguru, Trisha; Bora, Dipshikha; Modi, Mahendra K.

Molecular Docking, Physicochemical Properties, Pharmacokinetics and Toxicity of Flavonoids Present in Euterpe oleracea Martius
pp. 589-617(29)
Authors: de Oliveira, Nayana K. S.; Almeida, Marcos Rafael Silva; Pontes, Franco Márcio Maciel; Barcelos, Mariana P.; Silva, Guilherme Martins; de Paula da Silva, Carlos Henrique Tomich; Cruz, Rodrigo Alves Soares; da Silva Hage-Melim, Lorane Izabel