Current Computer-Aided Drug Design

Editor-in-Chief

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)

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Most Accessed Articles

The Research of New Inhibitors of Bacterial Methionine Aminopeptidase by Structure Based Virtual Screening Approach of ZINC DATABASE and In Vitro Validation

Volume: 16   Issue: 4
Pp: 389-401
Hanane Boucherit*, Abdelouahab Chikhi, Abderrahmane Bensegueni, Amina Merzoug and Jean-Michel Bolla
DOI: 10.2174/1573409915666190617165643

Combined QSAR Model and Chemical Similarity Search for Novel HMG-CoA Reductase Inhibitors for Coronary Heart Disease

Volume: 16   Issue: 4
Pp: 473-485
David Mary Rajathei*, Subbiah Parthasarathy and Samuel Selvaraj
DOI: 10.2174/1573409915666190904114247

Synthesis, Antitumor Activity, Molecular Docking and DFT Study of Novel Pyrimidiopyrazole Derivatives

Volume: 16   Issue: 4
Pp: 486-499
Asmaa M. Fahim*, Mohamed S. Elshikh and Noura M. Darwish
DOI: 10.2174/1573409915666190710094425

In Silico Docking of Vitamin E Isomers on Transport Proteins

Volume: 16   Issue: 4
Pp: 467-472
Nurul Syeefa Zulkiflee, Siti Amilia Awang, Woo Xian Ming, Muhammad Fauzan Wira’i Kamilan, M Yuveneshwari Mariappan and Tan Jen Kit*
DOI: 10.2174/1573409915666190614113733

Computational Drug Repurposing: Classification of the Research Opportunities and Challenges

Volume: 16   Issue: 4
Pp: 354-364
Seyedeh Shaghayegh Sadeghi and Mohammad Reza Keyvanpour*
DOI: 10.2174/1573409915666190613113822

Computational Prospecting for the Pharmacological Mechanism of Activity: HIV-1 Inhibition by Ixoratannin A-2

Volume: 16   Issue: 4
Pp: 376-388
Olujide O. Olubiyi*, Thomas O. Idowu, Abiodun O. Ogundaini and Goodness Orhuah
DOI: 10.2174/1573409915666190702111023

Prospects of Wedelolactone as a Chemotherapeutic Agent in Gynecological Cancers; Clue From its In Vitro and In Silico Investigation

Volume: 16   Issue: 4
Pp: 365-375
Sadia Sarwar*, Tauqeer Amed, Neelum Gul Qazi, Jun Qing Yu and Fazlul Huq
DOI: 10.2174/1573409915666191015113134

Structure-based Discovery of Narirutin as a Shikimate kinase Inhibitor with Anti-tubercular Potency

Volume: 16   Issue: 5
Pp: 523-529
Pramod Kumar Sahu, Pranab Kishor Mohapatra*, Dhanji Popatbhai Rajani and Mukesh Kumar Raval*
DOI: 10.2174/1573409915666191025112150

Novel Computational Approaches to Developing Potential STAT4 Silencing siRNAs for Immunomodulation of Atherosclerosis

Volume: 16   Issue: 5
Pp: 599-604
Sakineh Poorhosein Fookolaee, Samad Karkhah, Mahdiye Saadi, Subho Majumdar and Ahmad Karkhah*
DOI: 10.2174/1573409915666191018125653

Synthesis, SAR, Molecular Docking and Anti-Microbial Study of Substituted N-bromoamido-2-aminobenzothiazoles

Volume: 16   Issue: 5
Pp: 530-540
Devidas G. Anuse*, Bapu R. Thorat, Sudhir Sawant, Ramesh S. Yamgar*, Hemchandra K. Chaudhari and Suraj N. Mali
DOI: 10.2174/1573409915666190902143648

Targeting Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors

Volume: 16   Issue: 5
Pp: 605-617
Kauê Santana da Costa*, João M. Galúcio, Deivid Almeida de Jesus, Guelber Cardoso Gomes, Anderson Henrique Lima e Lima, Paulo S. Taube, Alberto M. dos Santos and Jerônimo Lameira*
DOI: 10.2174/1573409915666191025114009