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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 36, 2021 - Issue 1
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Research Paper

In vitro anti-TB properties, in silico target validation, molecular docking and dynamics studies of substituted 1,2,4-oxadiazole analogues against Mycobacterium tuberculosis

Pran Kishore Deba Department of Pharmaceutical Sciences, Faculty of Pharmacy, Philadelphia University, Amman, JordanCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-8650-2874View further author information
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Nizar A. Al-Shar’ib Department of Medicinal Chemistry and Pharmacognosy, Faculty of Pharmacy, Jordan University of Science and Technology, Irbid, JordanORCID Iconhttps://orcid.org/0000-0002-1599-5704View further author information
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Katharigatta N. Venugopalac Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa, Kingdom of Saudi Arabia;d Department of Biotechnology and Food Technology, Durban University of Technology, Durban, South AfricaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-0680-1549View further author information
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Melendhran Pillaye Department of Microbiology, National Health Laboratory Services, KZN Academic Complex, Inkosi Albert Luthuli Central Hospital, Durban, South AfricaORCID Iconhttps://orcid.org/0000-0002-5570-1010View further author information
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Pobitra Borahf Pratiksha Institute of Pharmaceutical Sciences, Guwahati, IndiaORCID Iconhttps://orcid.org/0000-0003-1047-4552View further author information
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Pages 869-884 | Received 29 Dec 2020, Accepted 03 Mar 2021, Published online: 01 Jun 2021

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Meng-Yu Xia, Yu-Xiang Cai, Jun-Xian Chen, Xin Zhao, Hong-Mei Dong & Zai-Chang Yang. (2023) Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives. Journal of Enzyme Inhibition and Medicinal Chemistry 38:1.
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Rajnish Kumar, Ranjeet Kumar Yadav, Avijit Mazumder, Salahuddin, Neelima Kukreti, Himanshu Singh, Fahad Khan & Sachin Kumar Singh. (2023) Insights into adopted synthetic approaches for 1,2,4-oxadiazoles: A review. Synthetic Communications 53:21, pages 1761-1783.
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Articles from other publishers (13)

Abdulrahim A. Alzain, Alaa A. Makki & Walaa Ibraheem. (2023) Insights into the Inhibition of Mycolic Acid Synthesis by Cytosporone E Derivatives for Tuberculosis Treatment Via an In Silico Multi-target Approach. Chemistry Africa 6:4, pages 1811-1831.
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Muhammed Trawally, Kübra Demir-Yazıcı, Serap İpek Dingiş-Birgül, Kerem Kaya, Atilla Akdemir & Özlen Güzel-Akdemir. (2023) Dithiocarbamates and dithiocarbonates containing 6-nitrosaccharin scaffold: Synthesis, antimycobacterial activity and in silico target prediction using ensemble docking-based reverse virtual screening. Journal of Molecular Structure 1277, pages 134818.
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Mehrnoosh Asgari, Hamid R. Memarian & Hassan Sabzyan. (2023) Cyclic voltammetric and DFT computational studies of 3,5-disubstituted 4,5-dihydro-1,2,4-oxadiazoles: Steric and electronic effects. Journal of Molecular Structure 1275, pages 134662.
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Vien Q. T. Ho, Mark K. Rong, Eva Habjan, Samantha D. Bommer, Thang V. Pham, Sander R. Piersma, Wilbert Bitter, Eelco Ruijter & Alexander Speer. (2023) Dysregulation of Mycobacterium marinum ESX-5 Secretion by Novel 1,2,4-oxadiazoles. Biomolecules 13:2, pages 211.
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Pobitra Borah, Sangeeta Hazarika, Ashna Chettri, Dikshya Sharma, Satyendra Deka, Katharigatta N. Venugopala, Pottathil Shinu, Nizar A. Al-Shar’i, Sanaa K. Bardaweel & Pran Kishore Deb. 2023. Viral, Parasitic, Bacterial, and Fungal Infections. Viral, Parasitic, Bacterial, and Fungal Infections 781 804 .
Mehrnoosh Asgari, Hamid R. Memarian & Hassan Sabzyan. (2022) Electron-transfer induced photo-oxidation of 4,5-dihydro-1,2,4-oxadiazoles: Experimental and computational studies. Journal of Photochemistry and Photobiology A: Chemistry 432, pages 114032.
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Yasmim Mendes Rocha, Emanuel Paula Magalhães, Marlos de Medeiros Chaves, Márcia Machado Marinho, Valentina Nascimento e Melo de Oliveira, Ronaldo Nascimento de Oliveira, Tiago Lima Sampaio, Ramon R. P. P. B. de Menezes, Alice M. C. Martins & Roberto Nicolete. (2022) Antiparasitary and antiproliferative activities in vitro of a 1,2,4-oxadiazole derivative on Trypanosoma cruzi. Parasitology Research 121:7, pages 2141-2156.
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Katharigatta N. Venugopala, Nizar A. Al-Shar’i, Lina A. Dahabiyeh, Wafa Hourani, Pran Kishore Deb, Melendhran Pillay, Bashaer Abu-Irmaileh, Yasser Bustanji, Sandeep Chandrashekharappa, Christophe Tratrat, Mahesh Attimarad, Anroop B. Nair, Nagaraja Sreeharsha, Pottathil Shinu, Michelyne Haroun, Mahmoud Kandeel, Abdulmalek Ahmed Balgoname, Rashmi Venugopala & Mohamed A. Morsy. (2022) Antitubercular, Cytotoxicity, and Computational Target Validation of Dihydroquinazolinone Derivatives. Antibiotics 11:7, pages 831.
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Katharigatta N. Venugopala, Pottathil Shinu, Christophe Tratrat, Pran Kishore Deb, Raquel M. Gleiser, Sandeep Chandrashekharappa, Deepak Chopra, Mahesh Attimarad, Anroop B. Nair, Nagaraja Sreeharsha, Fawzi M. Mahomoodally, Michelyne Haroun, Mahmoud Kandeel, Syed Mohammed Basheeruddin Asdaq, Viresh Mohanlall, Nizar A. Al-Shar’i & Mohamed A. Morsy. (2022) 1,2,3-Triazolyl-tetrahydropyrimidine Conjugates as Potential Sterol Carrier Protein-2 Inhibitors: Larvicidal Activity against the Malaria Vector Anopheles arabiensis and In Silico Molecular Docking Study. Molecules 27:9, pages 2676.
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Vishal Sharma, Rina Das, Dinesh Kumar Mehta, Sumeet Gupta, Katharigatta N. Venugopala, Raghuprasad Mailavaram, Anroop B. Nair, Ashok K. Shakya & Pran Kishore Deb. (2022) Recent insight into the biological activities and SAR of quinolone derivatives as multifunctional scaffold. Bioorganic & Medicinal Chemistry 59, pages 116674.
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Muhammed Trawally, Kübra Demir-Yazıcı, Serap İpek Dingiş-Birgül, Kerem Kaya, Atilla Akdemir & Özlen Güzel-Akdemir. (2022) Mandelic acid-based spirothiazolidinones targeting M. tuberculosis: Synthesis, in vitro and in silico investigations. Bioorganic Chemistry 121, pages 105688.
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Nilam H. Lalavani, Himani R. Gandhi, Krishna A. Bhensdadia, Rajesh K. Patel & Shipra H. Baluja. (2022) Synthesis, pharmacokinetic and molecular docking studies of new benzohydrazide derivatives possessing anti-tubercular activity against Mycobacterium tuberculosis H37Rv. Journal of Molecular Structure 1250, pages 131884.
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Samuel Baker Obakiro, Ambrose Kiprop, Isaac K’owino, Moses Andima, Richard Oriko Owor, Robi Chacha & Elizabeth Kigondu. (2022) Phytochemical, Cytotoxicity, and Antimycobacterial Activity Evaluation of Extracts and Compounds from the Stem Bark of Albizia coriaria Welw ex. Oliver. Evidence-Based Complementary and Alternative Medicine 2022, pages 1-20.
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