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Current Computer-Aided Drug Design

Volume 16, 6 Issues, 2020
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access

In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research

Articles Ahead of Print


In Silico Binding Profile Analysis and In vitro Investigation on Chitin Synthase Substrate and Inhibitors from Maize Stem Borer, Chilo partellus


Dinakara Rao Ampasala*, Bhagath Kumar Palaka, Anbumani Velmurugan Ilavarasi, Ishwar Patidar, Lakshmi Priya Poovadan, Tuleshwori Devi Sapam and Sampathkumar Ranganathan


DOI: 10.2174/1573409916666201013150920
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A Comprehensive in silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol


Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Jayaraman Muthukumaran, Rashmi Prabha Singh* and Amit Kumar Singh*


DOI: 10.2174/1573409916666200628104134
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Phenanthridine Sulfonamide Derivatives as Potential DPP-IV Inhibitors: Design, Synthesis and Biological Evaluation


Reema Abu Khalaf*, Shorooq Alqazaqi, Maram Aburezeq, Dima Sabbah, Ghadeer Albadawi and Ghassan Abu Sheikha


DOI: 10.2174/1573409916666201007124122
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Design and In-silico Screening of Peptide Nucleic Acid (PNA) Inspired Novel Pronucleotide Scaffolds Targeting COVID-19


Bichismita Sahu*, Santosh Kumar Behera, Rudradip Das, Tanay Dalvi, Arnab Chowdhury, Bhaskar Dewangan, Kiran Kalia and Amit Shard


DOI: 10.2174/1573409916666200923143935
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Synthesis and Anti-HCV Activities of 18β-Glycyrrhetinic Acid Derivatives and Their In-silico ADMET Analysis


Kai-Xia Zhang, Peng-Ru Wang, Fei Chen, Xi-Jing Qian, Lin Jia, Xiao-Juan Liu, Lin Li and Yong-Sheng Jin*


DOI: 10.2174/1573409916666200827104008
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Lead Generation for Human Mitotic Kinesin Eg5 Using Structure-based Virtual Screening and Validation by In-vitro and Cell-based Assays


Himesh Makala*, Soundarya Priya Alexandar, Devipriya Nagarajan, Santanu Kar Mahapatra and Venkatasubramanian Ulaganathan


DOI: 10.2174/1573409916666200722141218
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Molecular Docking, QSAR and Microscopic Studies of Anti-trypanosomal Compounds from the Pathogen Box


Adewale Joseph Ogunleye*, Olushola Samuel Olaolu, Nuradden Bello Ibrahim and Anthony Alanza James


DOI: 10.2174/1573409916666200722140704
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Fragment-based Discovery of Potential Anticancer Lead: Computational and in vitro Studies


Abdulmalek A. Balgoname, Sufyan M. Alomair, Abdulrahman K. AlMubireek and Mohammed A. Khedr*


DOI: 10.2174/1573409916666200620195025
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Application of Molecular Docking for the Development of Improved HIV-1 Reverse Transcriptase Inhibitors


Arash Soltani*, Seyed Isaac Hashemy, Farnaz Zahedi Avval, Houshang Rafatpanah, Seyed Abdolrahim Rezaee, Renate Griffith and Baratali Mashkani


DOI: 10.2174/1573409916666200628103359
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Molecular Docking, Physicochemical Properties, Pharmacokinetics and Toxicity of Flavonoids Present in Euterpe Oleracea Martius


Nayana Keyla Seabra de Oliveira, Marcos Rafael Silva Almeida, Franco Márcio Maciel Pontes, Mariana Pegrucci Barcelos, Guilherme Martins Silva, Carlos Henrique Tomich de Paula da Silva, Rodrigo Alves Soares Cruz and Lorane Izabel da Silva Hage-Melim*


DOI: 10.2174/1573409916666200619122803
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Molecular Docking and In vitro Analysis of Fagonia Cretica and Berberis Lyceum Extracts Against Brucella Melitensis


Ijaz Muhammad, Sadaf Niaz, Gul E Nayab, Anwar Hussain, Saghir Ahmad, Noor Rahman, Haroon Khan and Abid Ali*


DOI: 10.2174/1573409916666200612145712
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Investigation of New Inhibitors of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) by Virtual Screening with Antibacterial Assessment


Ilham Boulhissa*, Abdelouahab Chikhi, Abderrahmane Bensegueni, Mohammad Ahmad Ghattas, El Hassen Mokrani, Sara Alrawashdeh and Dana Emad Eddin Obaid


DOI: 10.2174/1573409916666200213124929
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In silico Studies, Synthesis and Antitubercular Activity of Some Novel Quinoline - Azitidinone Derivatives


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


DOI: 10.2174/1573409916666200129095952
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Petra/Osiris/Molinspiration and Molecular Docking Analyses of 3-Hydroxy-Indolin-2-one Derivatives as Potential Antiviral Agents


Taibi Ben Hadda*, Vesna Rastija*, Faisal AlMalki, Abderrahim Titi, Rachid Touzani, Yahia N. Mabkhot, Shah Khalid, Abdelkader Zarrouk and Bina S. Siddiqui


DOI: 10.2174/1573409916666191226110029
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Multi-Targeted Design and Development of Dihydroisoquinolines as Potent Antimalarials


Raviraj V. Mule*, Sneha P. Rochlani, Prafulla B. Choudhari, Rakesh P Dhavale and Manish S. Bhatia


DOI: 10.2174/1573409915666191017145833
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Interactions of Flavone and Steroid from A. subintegra as Potential Inhibitors for Porcine Pancreatic Lipase


Mastura Ibrahim, Saripah Salbiah Syed Abdul Azziz*, Chee Fah Wong, Yuhanis Mhd Bakri and Fauziah Abdullah


DOI: 10.2174/1573409915666191015112320
View Abstract





Editor-in-Chief

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
View Full Editorial Board

Journal History

Current Computer-Aided Drug Design was introduced in 2005 and Dr. Subhash C. Basak is acting as an Editor-in-Chief since 2012.

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