AI-assisted discovery of potent FGFR1 inhibitors via virtual screening and in silico analysis

• Ram Lal (Swagat) Shrestha ,

  Contributed equally to this work with: Ram Lal (Swagat) Shrestha, Ashika Tamang, Sandeep Poudel Chhetri

  Roles Data curation, Investigation, Methodology, Resources, Software, Writing – original draft

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

  ⨯
• Ashika Tamang ,

  Contributed equally to this work with: Ram Lal (Swagat) Shrestha, Ashika Tamang, Sandeep Poudel Chhetri

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

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

  ⨯
• Sandeep Poudel Chhetri ,

  Contributed equally to this work with: Ram Lal (Swagat) Shrestha, Ashika Tamang, Sandeep Poudel Chhetri

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

  Affiliations Kathmandu Valley College, Syuchatar Bridge, Kalanki, Kathmandu, Nepal, Central Department of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal

  ⨯
• Nirmal Parajuli,

  Roles Validation, Visualization

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

  ⨯
• Manila Poudel,

  Roles Investigation, Validation

  Affiliation Kathmandu Valley College, Syuchatar Bridge, Kalanki, Kathmandu, Nepal

  ⨯
• Shiva M. C.,

  Roles Visualization

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

  ⨯
• Aakar Shrestha,

  Roles Visualization

  Affiliation Kathmandu Valley College, Syuchatar Bridge, Kalanki, Kathmandu, Nepal

  ⨯
• Timila Shrestha,

  Roles Resources

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

  ⨯
• Samjhana Bharati,

  Roles Data curation, Resources

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

  ⨯
• Binita Maharjan,

  Roles Data curation, Resources, Software

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

  ⨯
• Bishnu P. Marasini ,

  Roles Formal analysis, Supervision, Writing – review & editing

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

  ¶‡ BPM and JAS also contributed equally to this work.

  Affiliations Kathmandu Valley College, Syuchatar Bridge, 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, Formal analysis, Supervision, Writing – review & editing

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

  ¶‡ BPM and JAS also contributed equally to this work.

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

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

  ⨯