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Synthesis, Structural Investigations, DFT Calculations, and Molecular Docking Studies of Novel 2-(Substituted-Aryloxymethyl)-5-(Pyridin-4-yl)-1, 3, 4-Oxadiazoles: Highly Potential InhA and Cytochrome c Peroxidase Inhibitors

Madhura Datara Department of Pharmaceutical Chemistry, Government College of Pharmacy, Bengaluru, Karnataka, India

Ramagopal Dhanwada Department of Pharmaceutical Chemistry, Government College of Pharmacy, Bengaluru, Karnataka, IndiaCorrespondence[email protected]

Mohammad Javeedb P.G. Department and Research Studies in Chemistry, Nrupatunga University, Bengaluru, Karnataka, India

https://orcid.org/0000-0001-8914-0656

Nagesh Gunavanthrao Yernalec Department of Chemistry, Guru Nanak First Grade College, Bidar, Karnataka, India

https://orcid.org/0000-0002-0228-0507

Basavarajaiah Suliphuldevara Mathadad P. G. Department of Chemistry, Vijaya College, Bengaluru, Karnataka, IndiaCorrespondence[email protected]

https://orcid.org/0000-0002-5934-8410

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Ilham Khan, Muhammad Adeel, Tansir Ahamad, Muhammad Sohail Khan, Gregor Schnakenburg, Sarfraz Ahmed, Suvash Chandra Ojha & Muhammad Adnan Asghar. (2023) Synthesis, Characterization, and DFT Study of Mono- and Di-Arylated Pyridine Derivatives. Polycyclic Aromatic Compounds 0:0, pages 1-24.
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Suliphuldevara Mathada Basavarajaiah, Nagesh Gunavanthrao Yernale, Munianjinappa Punith Kumar & Budimath Rakesh. (2023) Review on Contemporary Synthetic Recipes to Access Versatile Coumarin Heterocycles. Polycyclic Aromatic Compounds 0:0, pages 1-25.
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Basavarajaiah Suliphuldevara Mathada, N. Jeelan Basha, Mohammad Javeed, Prashantha Karunakar, Adavala Venkatesulu, Krishnakanth Erappa & A. Varsha. (2023) Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Ahmed Chelouan, Alberto Herrera, Romano Dorta, Insaf Filali & El Hassane Anouar. Synthesis, X-Ray, Hirshfeld Surface, DFT, and Molecular Docking Investigation of N-(5H-Dibenzo[a,d][7]Annulen-5-Ylidene)-2-Methylpropane-2-Sulfinamide. Polycyclic Aromatic Compounds 0:0, pages 1-13.
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Nalini R.Nagesh G.Y.Mohammad J.Prashantha Karunakar, S. M. Basavarajaiah, Ramakrishna Reddy K.Rakesh B. M.. Synthesis, Spectral Analysis, DFT Calculations, in Vitro Screening, and Molecular Docking of New Metal Complexes with Quinoline and Isoniazid Schiff Base as Antimicrobial and Antioxidant Agents. Polycyclic Aromatic Compounds 0:0, pages 1-21.
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Articles from other publishers (3)

Nagesh Gunavanthrao Yernale, Basavarajaiah Suliphuldevara Mathada, Swami Shivprasad, Sunilkumar Hiremath, Prashantha Karunakar & Adavala Venkatesulu. (2023) Spectroscopic, theoretical and computational investigations of novel benzo[b]thiophene based ligand and its M(II) complexes: As high portentous antimicrobial and antioxidant agents. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 302, pages 123114.
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D.L. Roopa, K. Shyamsunder, Prashantha Karunakar, Jothi Ramalingam Rajabathar, Adavala Venkatesulu, Muthusamy Karnan, K.S. Kiran, Manickam Selvaraj & S.M. Basavarajaiah. (2023) Naphtho[2,1-b]furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: Synthesis, DFT calculations, drug-likeness profile, molecular docking and dynamic studies. Journal of Molecular Structure 1287, pages 135685.
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Suliphuldevarada Mathada Basavarajaiah, Jaishree Badiger, Nagesh Gunavanthrao Yernale, Nidhi Gupta, Prashantha Karunakar, Bilgumba Thimmaiah Sridhar, Mohammad Javeed, K.S. Kiran & Budimath Rakesh. (2023) Exploration of Indolo[3,2c]isoquinoline derived triazoles as potential antimicrobial and DNA cleavage agents: Synthesis, DFT calculations, and molecular modeling studies. Bioorganic Chemistry 137, pages 106598.
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Synthesis, Structural Investigations, DFT Calculations, and Molecular Docking Studies of Novel 2-(Substituted-Aryloxymethyl)-5-(Pyridin-4-yl)-1, 3, 4-Oxadiazoles: Highly Potential InhA and Cytochrome c Peroxidase Inhibitors

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Synthesis, Structural Investigations, DFT Calculations, and Molecular Docking Studies of Novel 2-(Substituted-Aryloxymethyl)-5-(Pyridin-4-yl)-1, 3, 4-Oxadiazoles: Highly Potential InhA and Cytochrome c Peroxidase Inhibitors

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