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V. Natchimuthu, Mohnad Abdalla, Manasi Yadav, Ishita Chopra, Anushka Bhrdwaj, Khushboo Sharma, S. Ravi, Krishnan Ravikumar, Khalid J. Alzahrani, Tajamul Hussain & Anuraj Nayarisseri. (2022) Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound. Journal of Experimental Nanoscience 17:1, pages 247-273.
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Manasi Yadav, Mohnad Abdalla, Maddala Madhavi, Ishita Chopra, Anushka Bhrdwaj, Lovely Soni, Uzma Shaheen, Leena Prajapati, Megha Sharma, Mayank Singh Sikarwar, Sarah Albogami, Tajamul Hussain, Anuraj Nayarisseri & Sanjeev Kumar Singh. (2022) Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation and Pharmacokinetic modelling of Cyclooxygenase-2 (COX-2) inhibitor for the clinical treatment of Colorectal Cancer. Molecular Simulation 48:12, pages 1081-1101.
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Khattab Al-Khafaji & Tugba Taskin Tok. (2021) Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 39:6, pages 1965-1974.
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Khattab Al-Khafaji & Tugba Taskin Tok. (2021) Understanding the mechanism of amygdalin’s multifunctional anti-cancer action using computational approach. Journal of Biomolecular Structure and Dynamics 39:5, pages 1600-1610.
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M. Abirami, Banoth Karan Kumar, Faheem, Sanchita Dey, Samridhi Johri, Rosa M. Reguera, Rafael Balaña-Fouce, Kondapalli Venkata Gowri Chandra Sekhar & Murugesan Sankaranarayanan. (2023) Molecular-level strategic goals and repressors in Leishmaniasis – Integrated data to accelerate target-based heterocyclic scaffolds. European Journal of Medicinal Chemistry 257, pages 115471.
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Lina S. Prieto Cárdenas, Karen A. Arias Soler, Diana L. Nossa González, Wilson E. Rozo Núñez, Agobardo Cárdenas-Chaparro, Pablo R. Duchowicz & Jovanny A. Gómez Castaño. (2022) In Silico Antiprotozoal Evaluation of 1,4-Naphthoquinone Derivatives against Chagas and Leishmaniasis Diseases Using QSAR, Molecular Docking, and ADME Approaches. Pharmaceuticals 15:6, pages 687.
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Amena Ali, Abuzer Ali, Musarrat Husain Warsi, Mohammad Akhlaquer Rahman, Mohamed Jawed Ahsan & Faizul Azam. (2022) An Insight into the Structural Requirements and Pharmacophore Identification of Carbonic Anhydrase Inhibitors to Combat Oxidative Stress at High Altitudes: An In-Silico Approach. Current Issues in Molecular Biology 44:3, pages 1027-1045.
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Fernanda S. Almeida, Gleyton L.S. Sousa, Juliana C. Rocha, Frederico F. Ribeiro, Márcia Rosa de Oliveira, Teresa Cristina Soares de Lima Grisi, Demetrius A.M. Araújo, Michelangela S. de C. Nobre, Rosane N. Castro, Ian P.G. Amaral, Tatjana S.L. Keesen & Ricardo Olímpio de Moura. (2021) In vitro anti-Leishmania activity and molecular docking of spiro-acridine compounds as potential multitarget agents against Leishmania infantum. Bioorganic & Medicinal Chemistry Letters 49, pages 128289.
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Anna N. Tevyashova & Mikhail V. Chudinov. (2021) Progress in the medicinal chemistry of organoboron compounds. Russian Chemical Reviews 90:4, pages 451-487.
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Güler Yagiz, Samir Abbas Ali Noma, Aliye Altundas, Khattab Al-khafaji, Tugba Taskin-Tok & Burhan Ates. (2021) Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives. Bioorganic Chemistry 108, pages 104654.
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Azhar Salari-jazi, Karim Mahnam, Parisa Sadeghi, Mohamad Sadegh Damavandi & Jamshid Faghri. (2021) Discovery of potential inhibitors against New Delhi metallo-β-lactamase-1 from natural compounds: in silico-based methods. Scientific Reports 11:1.
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Tushar Joshi, Priyanka Sharma, Tanuja Joshi, Shalini Mathpal, Satish Chandra Pandey, Anupam Pandey & Subhash Chandra. 2021. Pathogenesis, Treatment and Prevention of Leishmaniasis. Pathogenesis, Treatment and Prevention of Leishmaniasis
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Marcus Tullius Scotti, Alex France Messias Monteiro, Jéssika de Oliveira Viana, Francisco Jaime Bezerra Mendonça Junior, Hamilton M. Ishiki, Ernestine Nkwengoua Tchouboun, Rodrigo Santos A. De Araújo & Luciana Scotti. (2020) Recent Theoretical Studies Concerning Important Tropical Infections. Current Medicinal Chemistry 27:5, pages 795-834.
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Amit Kumar Halder & M. Natália Dias Soeiro Cordeiro. (2020) Advanced in Silico Methods for the Development of Anti- Leishmaniasis and Anti-Trypanosomiasis Agents. Current Medicinal Chemistry 27:5, pages 697-718.
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Gang Cheng, Xiao‐Bing Mei, You‐You Yan, Jing Chen, Bo Zhang, Jia Li, Xiao‐Wu Dong, Neng‐Ming Lin & Yu‐Bo Zhou. (2019) Identification of new NIK inhibitors by discriminatory analysis‐based molecular docking and biological evaluation. Archiv der Pharmazie 352:7, pages 1800374.
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Rajan K. Pandey, Rupal Ojha, Nina Chatterjee, Nitesh Upadhyay, Amit Mishra & Vijay K. Prajapati. (2018) Combinatorial screening algorithm to engineer multiepitope subunit vaccine targeting human T‐lymphotropic virus‐1 infection. Journal of Cellular Physiology 234:6, pages 8717-8726.
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Rajan Kumar Pandey, Surbhi Dahiya, Jarjapu Mahita, Ramanathan Sowdhamini & Vijay Kumar Prajapati. (2019) Vaccination and immunization strategies to design Aedes aegypti salivary protein based subunit vaccine tackling Flavivirus infection. International Journal of Biological Macromolecules 122, pages 1203-1211.
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Rajan Kumar Pandey & Vijay Kumar Prajapati. (2018) Exploring sand fly salivary proteins to design multiepitope subunit vaccine to fight against visceral leishmaniasis. Journal of Cellular Biochemistry 120:2, pages 1141-1155.
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Rajan Kumar Pandey, Drista Sharma, Rupal Ojha, Tarun Kumar Bhatt & Vijay Kumar Prajapati. (2018) Chemical system biology based molecular interactions to identify inhibitors against Q151M mutant of HIV-1 reverse transcriptase. Infection, Genetics and Evolution 63, pages 5-12.
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Rajan Kumar Pandey, Rupal Ojha, Amit Mishra & Vijay Kumar Prajapati. (2018) Designing B‐ and T‐cell multi‐epitope based subunit vaccine using immunoinformatics approach to control Zika virus infection. Journal of Cellular Biochemistry 119:9, pages 7631-7642.
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Aruna Narula, Rajan Kumar Pandey, Nazia Khatoon, Amit Mishra & Vijay Kumar Prajapati. (2018) Excavating chikungunya genome to design B and T cell multi-epitope subunit vaccine using comprehensive immunoinformatics approach to control chikungunya infection. Infection, Genetics and Evolution 61, pages 4-15.
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Rajan Kumar Pandey, Rupal Ojha, Veeranarayanan Surya Aathmanathan, Muthukalingan Krishnan & Vijay Kumar Prajapati. (2018) Immunoinformatics approaches to design a novel multi-epitope subunit vaccine against HIV infection. Vaccine 36:17, pages 2262-2272.
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Ning Zhang, Martin Zoltner, Ka-Fai Leung, Paul Scullion, Sebastian Hutchinson, Ricardo C. del Pino, Isabel M. Vincent, Yong-Kang Zhang, Yvonne R. Freund, Michael R. K. Alley, Robert T. Jacobs, Kevin D. Read, Michael P. Barrett, David Horn & Mark C. Field. (2018) Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles. PLOS Pathogens 14:2, pages e1006850.
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Rajan Kumar Pandey & Vijay Kumar Prajapati. (2018) Molecular and immunological toxic effects of nanoparticles. International Journal of Biological Macromolecules 107, pages 1278-1293.
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Rajan Kumar Pandey, Tarun Kumar Bhatt & Vijay Kumar Prajapati. (2018) Novel Immunoinformatics Approaches to Design Multi-epitope Subunit Vaccine for Malaria by Investigating Anopheles Salivary Protein. Scientific Reports 8:1.
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Vineet Jain & Keerti Jain. (2018) Molecular targets and pathways for the treatment of visceral leishmaniasis. Drug Discovery Today 23:1, pages 161-170.
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Mudassar Ali, Rajan Kumar Pandey, Nazia Khatoon, Aruna Narula, Amit Mishra & Vijay Kumar Prajapati. (2017) Exploring dengue genome to construct a multi-epitope based subunit vaccine by utilizing immunoinformatics approach to battle against dengue infection. Scientific Reports 7:1.
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Nazia Khatoon, Rajan Kumar Pandey & Vijay Kumar Prajapati. (2017) Exploring Leishmania secretory proteins to design B and T cell multi-epitope subunit vaccine using immunoinformatics approach. Scientific Reports 7:1.
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Shuguang Yuan, H.C. Stephen Chan & Zhenquan Hu. (2017) Implementing WebGL and HTML5 in Macromolecular Visualization and Modern Computer-Aided Drug Design. Trends in Biotechnology 35:6, pages 559-571.
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Svitlana Prylutska, Rostyslav Panchuk, Grzegorz Gołuński, Larysa Skivka, Yuriy Prylutskyy, Vasyl Hurmach, Nadya Skorohyd, Agnieszka Borowik, Anna Woziwodzka, Jacek Piosik, Olena Kyzyma, Vasil Garamus, Leonid Bulavin, Maxim Evstigneev, Anatoly Buchelnikov, Rostyslav Stoika, Walter Berger, Uwe Ritter & Peter Scharff. (2016) C60 fullerene enhances cisplatin anticancer activity and overcomes tumor cell drug resistance. Nano Research 10:2, pages 652-671.
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Huazhou Ying, Jiangfeng Xie, Xingguo Liu, Tingting Yao, Xiaowu Dong & Chunqi Hu. (2017)
Discriminatory analysis based molecular docking study for in silico identification of epigallocatechin-3-gallate (EGCG) derivatives as B-Raf
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