Exploring novel antitubercular agents: Innovative design of 2,3-diaryl-quinoxalines targeting DprE1 for effective tuberculosis treatment

Authors: Sharma Kirti, Sharma Atul, Sanduja Mohit, Jogpal Vikas, Mishra Asim Kumar, Kumar Girish, Virmani Tarun, Noman Omar M., Alhalmi Abdulsalam

Source: Open Chemistry, Vol 22, Iss 1, Pp 57-72 (2024)

Subject Terms: dpre1, ty38c, root mean square deviation, root mean square fluctuation, quinoxalines, hydrophobic interactions, Chemistry, QD1-999

File Description: electronic resource

Relation: https://doaj.org/toc/2391-5420

Access URL: https://doaj.org/article/6bb3ba9137e14de8a26026a6b01900fa

Comparative Investigation of R213G Mutation in DNA-Binding Domain of P53 Protein via Molecular Dynamics Simulation

Authors: Elham Akbari, Mohammad Taghizadeh, Fahimeh Nemati

Source: مجله انفورماتیک سلامت و زیست پزشکی, Vol 8, Iss 1, Pp 105-116 (2021)

Subject Terms: root mean square fluctuation (rmsf), protein flexibility, p53 protein, missense mutation, molecular dynamics simulation, Computer applications to medicine. Medical informatics, R858-859.7, Medical technology, R855-855.5

File Description: electronic resource

Relation: http://jhbmi.ir/article-1-524-en.html; https://doaj.org/toc/2423-3870; https://doaj.org/toc/2423-3498

Access URL: https://doaj.org/article/44827ec1fbb04792b1acdadbfb53cec2

Molecular and phylogenetic analyses of the first complete genome sequence of Duck hepatitis A virus genotype 2 from India

Authors: Rajendran, Ramya ^{a, 1, ⁎}, Sundaram, Revathi Shunmuga ^{b, 1}, Rao, Pachineella Lakshmana ^{b, c, 1}, Senthil Nathan, D.Jaya ^a, Muthukrishnan, Madhanmohan ^d, Manoharan, Seeralan ^e, Srinivasan, Jaisree ^a, Balakrishnan, G. ^a, Soundararajan, C ^f, Subbiah, Madhuri ^{b, c, ⁎}

Source: In Gene 15 March 2025 941

In Silico Identification of Novel Derivatives of Rifampicin Targeting Ribonuclease VapC2 of M. tuberculosis H37Rv: Rifampicin Derivatives Target VapC2 of Mtb H37Rv

Authors: Satyamvada Maurya, Amita Jain, Md Tabish Rehman, Ali Hakamy, Farkad Bantun, Mohamed F. AlAjmi, Vineeta Singh, Aafreen Zehra, Feroz Khan, Shafiul Haque, Bhartendu Nath Mishra

Source: Molecules, Vol 28, Iss 4, p 1652 (2023)

Subject Terms: molecular docking, tuberculosis, Mycobacterium tuberculosis, root mean square deviation, radius of gyration, root mean square fluctuation, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/28/4/1652; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/ce56bd3bac0d4518a6ff889b4748a5cf

Molecular Dynamics Simulation of Cholera Toxin A-1 Polypeptide

Authors: Badshah Syed Lal, Khan Abdul Naeem, Mabkhot Yahia Nasser

Source: Open Chemistry, Vol 14, Iss 1, Pp 188-196 (2016)

Subject Terms: cholera toxin, molecular dynamics simulation, protein unfolding, root mean square fluctuation, secondary structure, Chemistry, QD1-999

File Description: electronic resource

Relation: https://doaj.org/toc/2391-5420

Access URL: https://doaj.org/article/fcab7c37a5fb466e8dfbb07a36ebd980

Mapping the Binding of GluN2B-Selective N-Methyl-d-aspartate Receptor Negative Allosteric Modulators

Authors: Burger, Pieter B. ^*, Yuan, Hongjie, Karakas, Erkan, Geballe, Matthew, Furukawa, Hiro, Liotta, Dennis C., Snyder, James P., Traynelis, Stephen F.

Source: In Molecular Pharmacology August 2012 82(2):344-359

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