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Sasipha Seetin, Patchreenart Saparpakorn, Jarunee Vanichtanankul, Danoo Vitsupakorn, Yongyuth Yuthavong, Sumalee Kamchonwongpaisan & Supa Hannongbua. (2023) Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculations. Journal of Biomolecular Structure and Dynamics 41:12, pages 5728-5743.
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Ikponmwosa Owen Evbuomwan, Omokolade Oluwaseyi Alejolowo, Tobiloba Christiana Elebiyo, Charles Obiora Nwonuma, Oluwafemi Adeleke Ojo, Evelyn Uwa Edosomwan, Joy Ifeyinwa Chikwendu, Nwanneka Victoria Elosiuba, Justina Chimezie Akulue, Festus Ayorinde Dogunro, Damilare Emmanuel Rotimi, Omorefosa Osarenkhoe Osemwegie, Adebola Busola Ojo, Olusegun George Ademowo, Oluyomi Stephen Adeyemi & Olarewaju Michael Oluba. (2023) In silico modeling revealed phytomolecules derived from Cymbopogon citratus (DC.) leaf extract as promising candidates for malaria therapy. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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J.H. Zothantluanga, D. Chetia, S. Rajkhowa & A.K. Umar. (2023) Unsupervised machine learning, QSAR modelling and web tool development for streamlining the lead identification process of antimalarial flavonoids. SAR and QSAR in Environmental Research 34:2, pages 117-146.
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Romany H. Thabet, Bayan Osama Shehadeh Alshar, Doaa Habes Saleh Alabdallah, Nour Alhuda Zaid Ahmad Alhmoud, Sondos Taher Abdalsalam Alslameen & Youssef Romany Helmy Thabet. (2023) Structure–activity relationships and interindividual variability of drug responses: pharmacogenomics with antimicrobial drugs as a paradigm. Journal of International Medical Research 51:11.
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Yongjun Chen, Dongmei Yan, Jialin Xu, Hui Xiong, Shaorong Luan, Ciying Xiao & Qingchun Huang. (2023) The importance of selecting crystal form for triazole fungicide tebuconazole to enhance its botryticidal activity. Science of The Total Environment 854, pages 158778.
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Mohamed A. M. El-Mansy, Ahmed M. Bayoumy, Hanan Elhaes & Medhat A. Ibrahim. (2022) Exploring the electronic, optical, and bioactive properties for new modified fullerenes via molecular modeling. Optical and Quantum Electronics 55:1.
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Zakari Ya'u Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa, Stephen Eyije Abechi & Sulaiman Isyaku. (2022) Quantitative Structure-Activity Relationship, Structure-based Design, and ADMET studies of pyrimethamine and cycloguanil analogs inhibitors of Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS).. Chemical Physics Impact 5, pages 100132.
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Osondu Everestus Oguike, Chikodili Helen Ugwuishiwu, Caroline Ngozi Asogwa, Charles Okeke Nnadi, Wilfred Ofem Obonga & Anthony Amaechi Attama. (2022) Systematic review on the application of machine learning to quantitative structure–activity relationship modeling against Plasmodium falciparum. Molecular Diversity 26:6, pages 3447-3462.
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Daniel Brito, Edgar Marquez, Felix Rosas & Ennis Rosas. (2022) Predicting new potential antimalarial compounds by using Zagreb topological indices. AIP Advances 12:4.
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Haipin Zhou, Zihan Rui, Yiming Yang, Shengtao Xu, Yutian Shao & Long Liu. (2021) First total synthesis of hoshinoamide A. Beilstein Journal of Organic Chemistry 17, pages 2924-2931.
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Phuong Thuy Viet Nguyen, Truong Van Dat, Shusaku Mizukami, Duy Le Hoang Nguyen, Farhana Mosaddeque, Son Ngoc Kim, Duy Hoang Bao Nguyen, Oanh Thi Đinh, Tu Linh Vo, Giang Le Tra Nguyen, Cuong Quoc Duong, Satoshi Mizuta, Dao Ngoc Hien Tam, M. Phuong Truong, Nguyen Tien Huy & Kenji Hirayama. (2021) 2D-quantitative structure–activity relationships model using PLS method for anti-malarial activities of anti-haemozoin compounds. Malaria Journal 20:1.
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Elkin Jose Torres Sierra, Cleydson Finotti Cordeiro, Livia de Figueiredo Diniz, Ivo Santana Caldas, Jamie Anthony Hawkes & Diogo Teixeira Carvalho. (2021) Coumarins as Potential Antiprotozoal Agents: Biological Activities and Mechanism of Action. Revista Brasileira de Farmacognosia 31:5, pages 592-611.
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