Latest Articles
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COVID-19 Pandemic: How can Computer-assisted Methods help to Rein in this Global Menace?
Volume 17 Issue 1
Author(s): Subhash C. Basak and Lemont B. Kier
Pages: 1-1 (1)
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DTIP: A Comparative Analytical Framework for Chemogenomic Drugtarget Interactions Prediction
Volume 17 Issue 1
Author(s): Faraneh Haddadi and Mohammad Reza Kayvanpour*
Pages: 2-21 (20)
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Phytochemical and Pharmacophoric Fragment Based Anticancer Drug Development
Volume 17 Issue 1
Author(s): S.P. Rochlani*, L.K. Dahiwade and P.B. Choudhari
Pages: 22-31 (10)
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Alteration of ssRNA Torsion and Water Influx into ssRNA Pocket in K309A and S247A Mutations
Volume 17 Issue 1
Author(s): Omotuyi I. Olaposi*
Pages: 32-37 (6)
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Prediction of Oral Acute Toxicity of Organophosphates Using QSAR Methods
Volume 17 Issue 1
Author(s): Mina Kianpour, Esmat Mohammadinasab* and Tahereh M. Isfahani
Pages: 38-56 (19)
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Identification of Novel Cyclin A2 Binding Site and Nanomolar Inhibitors of Cyclin A2-CDK2 Complex
Volume 17 Issue 1
Author(s): Stephanie S. Kim, Michele J. Alves, Patrick Gygli, Jose Otero* and Steffen Lindert*
Pages: 57-68 (12)
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Multiple-targets Directed Screening of Flavonoid Compounds from Citrus Species to find out Antimalarial Lead with Predicted Mode of Action: An In Silico and Whole Cell-based In vitro Approach
Volume 17 Issue 1
Author(s): Neelutpal Gogoi*, Dipak Chetia, Bhaskarjyoti Gogoi and Aparoop Das
Pages: 69-82 (14)
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Design of Potential IKK-β Inhibitors using Molecular Docking and Molecular Dynamics Techniques for their Anti-cancer Potential
Volume 17 Issue 1
Author(s): Salam P. Singh*, Iftikar Hussain, Bolin K. Konwar, Ramesh C. Deka and Chingakham B. Singh
Pages: 83-94 (12)
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Molecular Dynamics Assisted Mechanistic Insight of Val430-Ala Mutation of Rv1592c Protein in Isoniazid Resistant Mycobacterium Tuberculosis
Volume 17 Issue 1
Author(s): Arbind Kumar*, Pradeep K. Anand, Saahil Chandel, Anju Shrivatava and Jagdeep Kaur*
Pages: 95-106 (12)
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Mixed Ligand-metal Complexes of 2-(butan-2-ylidene) Hydrazinecarbothioamide- Synthesis, Characterization, Computer-Aided Drug Character Evaluation and in vitro Biological Activity Assessment
Volume 17 Issue 1
Author(s): Tahmeena Khan*, Rumana Ahmad, Iqbal Azad*, Saman Raza, Seema Joshi and Abdul R. Khan
Pages: 107-122 (16)
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Petra/Osiris/Molinspiration and Molecular Docking Analyses of 3-Hydroxy-Indolin-2-one Derivatives as Potential Antiviral Agents
Volume 17 Issue 1
Author(s): Taibi Ben Hadda*, Vesna Rastija*, Faisal AlMalki, Abderrahim Titi, Rachid Touzani, Yahia N. Mabkhot, Shah Khalid, Abdelkader Zarrouk and Bina S. Siddiqui
Pages: 123-133 (11)
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In silico Studies, Synthesis and Antitubercular Activity of Some Novel Quinoline - Azitidinone Derivatives
Volume 17 Issue 1
Author(s): Trupti S. Chitre*, Kalyani D. Asgaonkar, Amrut B. Vikhe, Shital M Patil, Dinesh R. Garud, Vijay M. Khedkar, Dhiman Sarkar, Laxman U. Nawale and Amar Yeware
Pages: 134-143 (10)
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Formulation Development of Tamoxifen Loaded Lipid Nanoparticle by Taguchi (L12 (211)) Orthogonal Array Design
Volume 17 Issue 1
Author(s): Ganesan Poovi and Narayanasamy Damodharan*
Pages: 144-159 (16)
Endorsement(s)
"The first issue of the journal Current Computer-Aided Drug Design is reflective of the course taken by the editor on the broadest possible coverage of the methodology development and applications of modern computational drug discovery. It is a must-read periodical for the professionals, educators and students interested in this important field."
Alexander Tropsha
Univ. of North Carolina, USA
"A journal like Current Computer-Aided Drug Design (CC-ADD), which reports on timely comprehensive in-depth reviews and critical assessment of novel directions in the area of drug design and drug discovery, has been long overdue. Journal will not only help researchers in the field of structure-activity studies to follow recent advancement in the field but hopefully will also help to bridge the gap between diverse methodologies addressing properties of highly complex interactions of drugs and large biomolecules. I strongly recommend this journal to all involved in structure-property-activity studies.."
Milan Randic
Drake University, Des Moines, IA, USA
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