About Me
At COMSATS University Islamabad, Islamabad Campus, I earned a master's degree in bioinformatics. Currently employed as a lecturer at The Islamia University Bahawalpur, Pakistan. I specialize in computer-assisted drug design, specifically Docking, and MD Simulation. I researched a deep learning technique to retro-synthetic analysis. My main goal was to devise a mechanism for improving synthon prediction accuracy. My final year research project in BS was the development of “BMT: Bioinformatics Mini Toolbox. A tool for comprehensive genomics and proteomics analysis”. I published its paper as the first author in Genomics Journal. Based on my CGPA, I was one of the top students in my class and won the silver medal. Along with my study, I also worked as a Research Assistant at CUI, Sahiwal Campus under the project of HEC, titled “Inhibition of 2C Coxsackie B virus protein to decrease pathogenicity of diabetes mellitus Type1”. I am hard-working, focused, and fully dedicated to my study and research.
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Research Publication
1. Rashid, Sana and Anjum, Shazia and Ahmed, Muhammad Mahmood and Iqbal, Muhammad Nasir and Ashraf, Muhammad and Hussain, Safdar and Hamid, Sujhla. 2025. “Quercetagetin 3, 7 dimethyl ether polymorphs as multi-targeted anti-amyloid agents: Target to cognitive impairment in Alzheimer's disease.” Journal of Molecular Structure 1321.
2. Iqbal, Muhammad Nasir and Kandeel, Mahmoud. 2024. “Role of Artificial Intelligence in Retrosynthesis Analysis of Natural Products for Drug Design.” Apple Academic Press 0.
3. Kamal, Shah and Amanullah, Amanullah and Wang, Qingqing and Ullah, Najeeb and Mushtaq, Gohar and Iqbal, Muhammad Nasir and Kamal, Mohammad Amjad. 2024. “Bioinformatics analysis of missense mutations in CXCR1 implicates altered protein stability and function.” Tumor Discov 3.
4. Ullah, Shahid and Rahman, Wajeeha and Ullah, Farhan and Ullah, Anees and Jehan, Riffat and Iqbal, Muhammad Nasir and Irfan, Muhammad. 2024. “A molecular dynamics simulations analysis of repurposing drugs for COVID-19 using bioinformatics methods.” Journal of Biomolecular Structure and Dynamics 42.
5. Ponmani, S and Saranya, K and Uma Maheswari, Shanmugavel and Nasir Iqbal, Muhammad and Ganapathy, Srikala and Selvankumar, T. 2024. “Anti-Cancer Potential of Phytocompounds from Ziziphus jujuba against Lung Cancer Target Proteins: An In Silico Validation.” Polycyclic Aromatic Compounds 44.
6. Nasir Iqbal, Muhammad and Vinoth, Sadhasivam and Sasikanth, Vasuki and Rathinavel, Thirumalaisamy. 2024. “Molecular insights of marine algal polycyclic aromatic compounds as promising anti-viral agents for targeting SARS-CoV-2 proteins--An in silico validation.” Polycyclic Aromatic Compounds 44.
7. Ullah, Shahid and Rahman, Wajeeha and Ullah, Farhan and Ullah, Anees and Jehan, Riffat and Iqbal, Muhammad Nasir and Ali, Iqra and Tianshun, Gao. 2024. “Identification of lead compound screened from the natural products atlas to treat renal inflammasomes using molecular docking and dynamics simulation.” Journal of Biomolecular Structure and Dynamics 42.
8. Mani, Suresh Thanjavur and Rathinavel, Thirumalaisamy and Ammashi, Subramanian and Nasir Iqbal, Muhammad. 2024. “Polycyclic aromatic bioactive compounds from eclipta alba and its anticancer potential against breast cancer target proteins: An antibreast cancer intervention through in silico and in vitro validations.” Polycyclic Aromatic Compounds 44.
9. Ullah, Shahid and Zheng, Zilong and Rahman, Wajeeha and Ullah, Farhan and Ullah, Anees and Iqbal, Muhammad Nasir and Iqbal, Naveed and Gao, Tianshun. 2023. “A computational approach to fighting type 1 diabetes by targeting 2C Coxsackie B virus protein with flavonoids.” Plos one 18.
10. Jayabal, D and Jayanthi, S and Thirumalaisamy, R and Karthika, R and Iqbal, Muhammad Nasir. 2023. “Comparative anti-Diabetic potential of phytocompounds from Dr. Duke's phytochemical and ethnobotanical database and standard antidiabetic drugs against diabetes hyperglycemic target proteins: an in silico validation.” Journal of Biomolecular Structure and Dynamics 41.
11. Malik, Abbeha and Iqbal, Muhammad Nasir and Ashraf, Sidrah and Khan, Muhammad Saleem and Shahzadi, Samar and Shafique, Muhammad Farhan and Sajid, Zureesha and Sajid, Muhammad and Sehgal, Sheikh Arslan. 2023. “In silico elucidation of potential drug targets against oxygenase domain of Human eNOS Dysfunction.” PLoS One 18.
12. Kandeel, Mahmoud and Iqbal, Muhammad Nasir and Ali, Iqra and Malik, Saima and Malik, Abbeha and Sehgal, Sheikh Arslan. 2023. “Comprehensive in silico analyses of flavonoids elucidating the drug properties against kidney disease by targeting AIM2.” PLoS One 18.
13. Dekir, Ali and Berredjem, Malika and Rachedi, Khadidja Otmane and Bahadi, Rania and Djouad, Seif Eddine and Bouacida, Sofiane and Grib, Ismahene and Iqbal, Nasir and Redjemia, Rayenne and Boussaker, Meriem. 2023. “X-ray crystallographic study, molecular docking, molecular dynamics and DFT/ADMET analyses of carboxylsulfamides.” Journal of Molecular Structure 1289.
14. Takeichi, Takuya and Yoshikawa, Takenori and Iqbal, Muhammad Nasir and Farooq, Muhammad and Taki, Tomoki and Muro, Yoshinao and Shimomura, Yutaka and Seishima, Mariko and Akiyama, Masashi. 2023. “Mild generalised pustular psoriasis patient with a heterozygous hypomorphic MPO variant successfully treated with granulocyte and monocyte adsorption apheresis.” Experimental Dermatology 32.
15. Grine, Sara and Taibi, Faiza and Berredjem, Malika and Dekir, Ali and Benaliouche, Fouzia and Rachedi, Khadidja Otmane and Acidi, Anissa and Iqbal, Nasir and Bhat, Ajmal R and Niranjan, Vidya and others. 2023. “Antifungal activity of the essential oil of Pelargonium graveolens. Molecular docking, molecular dynamics, DFT, and in silico ADMET studies of five derivatives.” Journal of Molecular Structure 1294.
16. Srinivasan, Ramasamy and Kamalanathan, Desingu and Rathinavel, Thirumalaisamy and Iqbal, Muhammad Nasir and Shanmugam, Gnanendra. 2023. “Anti-cancer potentials of aervine validated through in silico molecular docking, dynamics simulations, pharmacokinetic prediction and in vitro assessment of caspase--3 in SW480 cell line.” Molecular Simulation 49.
17. Rasheed, Muhammad Asif and Raza, Sohail and Alonazi, Wadi B and Ashraf, Muhammad Adnan and Navid, Muhammad Tariq and Aslam, Irfana and Iqbal, Muhammad Nasir and Rahman, Sarfraz Ur and Riaz, Muhammad Ilyas. 2023. “Design and Assessment of a Novel In Silico Approach for Developing a Next-Generation Multi-Epitope Universal Vaccine Targeting Coronaviruses.” Microorganisms 11.
18. Ali, Iqra and Iqbal, Muhammad Nasir and Ibrahim, Muhammad and Haq, Ihtisham Ul and Alonazi, Wadi B and Siddiqi, Abdul Rauf. 2023. “Computational exploration of novel ROCK2 inhibitors for cardiovascular disease management; insights from high-throughput virtual screening, molecular docking, DFT and MD simulation.” Plos one 18.
19. Yoshikawa, Takenori and Hifu, Nagoya Daigaku Daigakuin Igakukei Kenkyuka and Iqbal, Muhammad Nasir and Farooq, Muhammad and Taki, Tomoki and Muro, Yoshinao and Seishima, Mariko and Byoin, Asahi Daigaku and Akiyama, Masashi. 2023. “Mild generalized pustular psoriasis patient with a heterozygous hypomorphic MPO variant successfully treated with granulocyte and monocyte adsorption apheresis.”
20. Sehgal, Sheikh A and Wu, Hao and Sajid, Muhammad and Sohail, Summar and Ahsan, Muhammad and Parveen, Gulnaz and Riaz, Mehreen and Khan, Muhammad Saleem and Iqbal, Muhammad Nasir and Malik, Abbeha. 2023. “Pharmacological progress of mitophagy regulation.” Current Neuropharmacology 21.
21. Dekir, Ali and Berredjem, Malika and Benzaid, Chahrazed and Djouad, Seif-Eddine and Iqbal, Nasir and Laichi, Yacine and Bachari, Khaldoun and Bhat, Ajmal Rashid and Bouzina, Abdeslem and Aissaoui, Mohamed and others. 2023. “Novel N-acylsulfonamides: Synthesis, in silico prediction, molecular docking dynamic simulation, antimicrobial and anti-inflammatory activities.” Journal of Biomolecular Structure and Dynamics 41.
22. Onitsuka, Mami and Farooq, Muhammad and Iqbal, Muhammad Nasir and Yasuno, Shuichiro and Shimomura, Yutaka. 2023. “A homozygous loss-of-function variant in the MPO gene is associated with generalized pustular psoriasis.” The Journal of Dermatology 50.
23. Rajamanickam, Karthika and Rathinavel, Thirumalaisamy and Periyannan, Velu and Ammashi, Subramanian and Marimuthu, Shanmugam and Nasir Iqbal, Muhammad. 2023. “Molecular insight of phytocompounds from Indian spices and its hyaluronic acid conjugates to block SARS-CoV-2 viral entry.” Journal of Biomolecular Structure and Dynamics 41.
24. Selvaraj, Vasuki and Rathinavel, Thirumalaisamy and Ammashi, Subramanian and Nasir Iqbal, Muhammad. 2023. “Polyphenolic phytochemicals exhibit promising SARS-COV-2 papain like protease (PLpro) inhibition validated through a computational approach.” Polycyclic Aromatic Compounds 43.
25. Thirumalaisamy, R and Aroulmoji, V and Iqbal, Muhammad Nasir and Saride, Shreyas and Bhuvaneswari, M and Deepa, M and Sivasankar, C and Khan, Riaz. 2023. “Molecular insights of hyaluronic acid--ethambutol and hyaluronic acid--isoniazid drug conjugates act as promising novel drugs for the treatment of tuberculosis.” Journal of Biomolecular Structure and Dynamics 41.
26. Mahfuz, AMUB and Stambuk Opazo, Felipe and Aguilar, Luis F and Iqbal, Muhammad Nasir. 2022. “Carfilzomib as a potential inhibitor of NADH-dependent enoyl-acyl carrier protein reductases of Klebsiella pneumoniae and Mycobacterium tuberculosis as a drug target enzyme: insights from molecular docking and molecular dynamics.” Journal of Biomolecular Structure and Dynamics 40.
27. Noor, Hasnat and Ikram, Ayesha and Rathinavel, Thirumalaisamy and Kumarasamy, Suresh and Nasir Iqbal, Muhammad and Bashir, Zohaib. 2022. “Immunomodulatory and anti-cytokine therapeutic potential of curcumin and its derivatives for treating COVID-19--a computational modeling.” Journal of Biomolecular Structure and Dynamics 40.
28. Mahfuz, AMU B and Iqbal, Muhammad Nasir and Opazo, Felipe Stambuk and Zubair-Bin-Mahfuj, AM. 2022. “Characterization of ribonucleotide reductases of emerging pathogens Elizabethkingia anophelis and Elizabethkingia meningoseptica and streptonigrin as their inhibitor: a computational study.” Journal of Biomolecular Structure and Dynamics 40.
29. Balogun, Toheeb Adewale and Iqbal, Muhammad Nasir and Saibu, Oluwatosin Abideen and Akintubosun, Michael Olawale and Lateef, Olubodun Michael and Nneka, Uche Catherine and Abdullateef, Olayemi Taye and Omoboyowa, Damilola Alex. 2022. “Discovery of potential HER2 inhibitors from Mangifera indica for the treatment of HER2-Positive breast cancer: an integrated computational approach.” Journal of Biomolecular Structure and Dynamics 40.
30. Periyannan Velu, Thirumalaisamy Rathinavel, Suresh Kumarasamy, Muhammad Nasir Iqbal, Hasnat Noor, Ayesha Ikram, Karthika Rajamanickam \& Gnanendra Shanmugam. 2022. “Whole genome analysis and homology modeling of SARS-CoV-2 Indian isolate reveals potent FDA approved drug choice for treating COVID-19.” JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS 0.
31. Altaf, Reem and Nadeem, Humaira and Iqbal, Muhammad Nasir and Ilyas, Umair and Ashraf, Zaman and Imran, Muhammad and Muhammad, Syed Aun. 2022. “Synthesis, biological evaluation, 2D-QSAR, and molecular simulation studies of dihydropyrimidinone derivatives as alkaline phosphatase inhibitors.” ACS omega 7.
32. Omoboyowa, Damilola A and Iqbal, Muhammad N and Balogun, Toheeb A and Bodun, Damilola S and Fatoki, John O and Oyeneyin, Oluwatoba E. 2022. “Inhibitory potential of phytochemicals from Chromolaena odorata L. against apoptosis signal-regulatory kinase 1: A computational model against colorectal cancer.” Computational Toxicology 23.
33. Rathinavel, Thirumalaisamy and Iqbal, Muhammad Nasir and Kumarasamy, Suresh. 2021. “Lupeol from Crateva adansonii DC exhibits promising enzymes inhibition: play a crucial role in inflammation and diabetes.” South African Journal of Botany 143.
34. Rasheed, Muhammad Asif and Iqbal, Muhammad Nasir and Saddick, Salina and Ali, Iqra and Khan, Falak Sher and Kanwal, Sumaira and Ahmed, Dawood and Ibrahim, Muhammad and Afzal, Umara and Awais, Muhammad. 2021. “Identification of lead compounds against Scm (fms10) in Enterococcus faecium using computer aided drug designing.” Life 11.
35. Thirumalaisamy, R and Aroulmoji, V and Iqbal, Muhammad Nasir and Deepa, M and Sivasankar, C and Khan, Riaz and Selvankumar, T. 2021. “Molecular insights of hyaluronic acid-hydroxychloroquine conjugate as a promising drug in targeting SARS-CoV-2 viral proteins.” Journal of Molecular Structure 1238.
36. Iqbal, Muhammad Nasir and Rasheed, Muhammad Asif and Awais, Muhammad and Chammam, Wathek and Kanwal, Sumaira and Khan, Sami Ullah and Saddick, Salina and Tlili, Iskander. 2020. “BMT: Bioinformatics mini toolbox for comprehensive DNA and protein analysis.” Genomics 112.
37. Amin, Amina and Rasheed, Muhammad A and Diwan, Rana A and Shahid, Muhammad and Bano, Saddia and Riaz, Adnan and Iqbal, Muhammad N and Sajid, Muhammad W. 2020. “Inhibition of 2C Coxsackie B Virus Protein to Decrease Pathogenicity of Diabetes Mellitus Type 1.” Current Computer-Aided Drug Design 16.
The Islamia University of Bahawalpur was established in the year 1975 by upgrading historical institute of the Jamia Abbasia.
