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Abstracts Ahead of Print


Evaluation of Chemotherapeutic Activity of the Selected Bases’ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations


Piotr Kawczak*, Leszek Bober and Tomasz Bączek.


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In Silico Computations Of Selective Phytochemicals As Potential Inhibitors Against Major Biological Targets Of Diabetes Mellitus


Ammara Akhtar, Anam Amir, Waqar Hussain, Abdul Ghaffar and Nouman Rasool*.


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Computational approaches as rational decision support systems for discovering next-generation antitubercular agents: Minireview


Rahul Balasaheb Aher and Kunal Roy*.


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Towards further understanding the structural requirements of combretastatin-like chalcones as inhibitors of microtubule polymerization


Naveen Dhingra*, Anand Kar and Rajesh Sharma.


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Comparative Docking Studies a Drug Design Tool for Some Pyrazine-Thiazolidinone based Derivatives for Anti-HIV Activity


Kalyani Dhirendra Asgaonkar*, Shital Manoj Patil*, Trupti Sameer Chitre, Vaibhav Nanabhau Ghegade, Saurabh Radhaji Jadhav, Sajid Shaukat Sande and Atharva Sudhakar Kulkarni.


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Molecular modeling studies of 1,4-diaryl-2-mercaptoimidazole derivatives for antimicrobial potency


Nidhi Rani* and Randhir Singh.


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DPP-IV Inhibitory Phenanthridines: Ligand, Structure-Based Design, and Synthesis


Reema Abu Khalaf*, Dalal Masalha and Dima Sabbah.


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Exploring the role of water molecules in the ligand binding domain of PDE4B and PDE4D:Virtual screening based molecular docking of some active scaffolds


Priya Singh, Mitali Mishra, Shivangi Agarwal, Samaresh Sau, Arun K. Iyer* and Sushil K Kashaw*.


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Effects of hydroxyl group on the interaction of carboxylated flavonoid derivatives with S. cerevisiae α-glucosidase


Hn Lu, Yj Qi*, Ym Zhao and Nz Jin.


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