Evaluating the inhibitory efficacy of Oxalis phytocompounds on monoamine oxidase B: An integrated approach targeting age related neurodegenerative diseases through molecular docking and dynamics simulations

• Ram Lal (Swagat) Shrestha ,

  Contributed equally to this work with: Ram Lal (Swagat) Shrestha, Shiva M. C.

  Roles Resources, Software

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal, Institute of Natural Resources Innovation, Kalimati, Kathmandu, Nepal

  ⨯
• Shiva M. C. ,

  Contributed equally to this work with: Ram Lal (Swagat) Shrestha, Shiva M. C.

  Roles Data curation, Formal analysis, Investigation, Methodology, Writing – original draft

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Ashika Tamang,

  Roles Formal analysis, Visualization

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Manila Poudel,

  Roles Formal analysis, Visualization

  Affiliations Kathmandu Valley College, Kalanki, Kathmandu, Nepal, Department of Biotechnology, National College, Lainchaur, Kathmandu, Nepal

  ⨯
• Nirmal Parajuli,

  Roles Formal analysis, Visualization

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Aakar Shrestha,

  Roles Resources, Software

  Affiliation Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Timila Shrestha,

  Roles Resources, Software

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Samjhana Bharati,

  Roles Resources, Software

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Binita Maharjan,

  Roles Resources, Software

  Affiliations Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal, Kathmandu Valley College, Kalanki, Kathmandu, Nepal

  ⨯
• Bishnu P. Marasini ,

  Roles Conceptualization, Formal analysis, Supervision

  * E-mail: subinadhikari2018@gmail.com (JAS); bishnu.marasini@gmail.com (BPM)

  ¶‡ These authors also contributed equally to this work.

  Affiliations Kathmandu Valley College, Kalanki, Kathmandu, Nepal, Institute of Natural Resources Innovation, Kalimati, Kathmandu, Nepal, Nepal Health Research Council, Ministry of Health and Population, Ramshah Path, Kathmandu, Nepal

  ⨯
• Jhashanath Adhikari Subin

  Roles Conceptualization, Supervision, Validation, Writing – review & editing

  * E-mail: subinadhikari2018@gmail.com (JAS); bishnu.marasini@gmail.com (BPM)

  ¶‡ These authors also contributed equally to this work.

  Affiliations Kathmandu Valley College, Kalanki, Kathmandu, Nepal, Bioinformatics and Cheminformatics Division, Scientific Research and Training Nepal P. Ltd., Bhaktapur, Nepal

  https://orcid.org/0000-0001-8515-9843

  ⨯