Profile Details

Create Project

★★★★★

☆☆☆☆☆

USD 50 /hr

★★★★★

☆☆☆☆☆

Hire Muhammad Saad K.

Pakistan

USD 50 /hr

Bioinformatician Specializing in Target Identification, Network Analysis, and Drug Repurposing.

Profile Summary

"I am a Senior Computational Chemist and Bioinformatician specializing in the cutting-edge fields of Drug Designing and Network Pharmacology. My expertise is validated by 30 peer-reviewed publications, demonstrating a robust track record in complex in silico projects. My services are designed to accelerate your preclinical pipeline by: Virtual Screening & Ligand Design: High-throughput molecular docking (AutoDock, Vina) and de novo ligand generation. Molecular Dynamics (MD) Simulations: Assessing drug-target stability, binding affinity, and conformational changes. Network Pharmacology: Identifying multi-target drug mechanisms, predicting side effects, and streamlining drug repurposing strategies. I deliver publication-ready results, including final structural analyses, stability reports, and comprehensive network visualisations. Hire me to provide the rapid, rigorous computational validation required to advance your drug candidates."

Subject Matter Expertise

• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Phytochemistry
• ☆ Molecular Biology
• ☆ Proteomics
• ☆ Pesticide Development
• ☆ Herbicide Development
• ☆ Bioinformatics
• ☆ Python
• ☆ R
• ☆ Drug Discovery
• ☆ Drug Target Identification
• ☆ Drug Development
• ☆ Nutraceuticals

Services

• Writing
• Research
• Consulting
• Data & AI
• Product Development

Writing Technical Writing, Copywriting, General Proofreading & Editing

Research User Research, Scientific and Technical Research, Systematic Literature Review

Consulting Healthcare Consulting, Scientific and Technical Consulting, Manufacturing Consulting

Data & AI Text Mining & Analytics, Data Mining

Product Development Recipe Development, Stability/Shelf Life Testing, Manufacturing

Work Experience

Lecturar

COMSATS University Islamabad

February 2017 - Present

Lecturer

COMSATS University Islamabad

February 2017 - Present

lecturer

Institute of Natural & Management Sciences

September 2015 - January 2016

Education

Master of Engineering in Bioinformatics

Mohammad Ali Jinnah University - Pakistan

September 2013 - July 2015

Master of Engineering in Bioinformatics

Mohammad Ali Jinnah University - Pakistan

January 2007 - July 2011

Certifications

• certificate of participation

  Faculty Development Academy

  May 2021 - June 2021

Publications

JOURNAL ARTICLE

Hitesh Chopra, Shabana Bibi, Yugal Kishore Mohanta, Tapan Kumar Mohanta, Sandeep Kumar, Inderbir Singh, Pradipta Ranjan Rauta, Abdulrahman Alshammari, Metab Alharbi, et al., Muhammad Saad Khan (2023). In Vitro and In Silico Characterization of Curcumin-Loaded Chitosan–PVA Hydrogels: Antimicrobial and Potential Wound Healing Activity . Gels.

Muhammad Saad Khan, Hitesh Chopra, Shabana Bibi, Yugal Kishore Mohanta, Tapan Kumar Mohanta, Sandeep Kumar, Inderbir Singh, Pradipta Ranjan Rauta, Abdulrahman Alshammari, Metab Alharbi, et al. (2023). In Vitro and In Silico Characterization of Curcumin-Loaded Chitosan–PVA Hydrogels: Antimicrobial and Potential Wound Healing Activity . Gels.

Khan, Muhammad Saad, Saleem, Uzma, Iman, Shafa, Ahmad, Bashir, Shah, Muhammad Ajmal, Bibi, Shabana, Alqarni, Mohammed, Shah, Ghulam Mujtaba, Khan, Haroon, Alhasani, Reem Hasaballah, et al. (2023). Antidepressant activity of phytochemicals of <i>Mangifera indica</i> seeds assisted by integrated computational analysis . Metabolic Brain Disease.

Muhammad Saad Khan, Rahul Kumar Sharma, Shabana Bibi, Hitesh Chopra, Navidha Aggarwal, Inderbir Singh, Syed Umair Ahmad, Mohammad Mehedi Hasan, Mahmoud Moustafa, Mohammed Al-Shehri, et al. (2022). In Silico and In Vitro Screening Constituents of Eclipta alba Leaf Extract to Reveal Antimicrobial Potential . Evidence-Based Complementary and Alternative Medicine.

Muhammad Saad Khan, Shahzad Saleem, Shabana Bibi, Qudsia Yousafi, Tehzeem Hassan, Mohammad Mehedi Hasan, Hitesh Chopra, Mahmoud Moustafa, Mohammed Al-Shehri, Mohammad Khalid, et al. (2022). Identification of Effective and Nonpromiscuous Antidiabetic Drug Molecules from Penicillium Species . Evidence-Based Complementary and Alternative Medicine.

Muhammad Saad Khan, Hitesh Chopra, Shabana Bibi, Sandeep Kumar, Pradeep Kumar, Inderbir Singh (2022). Preparation and Evaluation of Chitosan/PVA Based Hydrogel Films Loaded with Honey for Wound Healing Application . Gels.

Muhammad Saad Khan, Hitesh Chopra, Shabana Bibi, Sandeep Kumar, Pradeep Kumar, Inderbir Singh (2022). Preparation and Evaluation of Chitosan/PVA Based Hydrogel Films Loaded with Honey for Wound Healing Application . Gels.

Muhammad Saad Khan, Qudsia Yousafi, Shabana Bibi, Shahzad Saleem, Abrar Hussain, Mohammad Mehedi Hasan, Maria Tufail, Amina Qandeel, Sania Mazhar, Maha Yousaf, et al. (2022). Identification of Novel and Safe Fungicidal Molecules against Fusarium oxysporum from Plant Essential Oils: In Vitro and Computational Approaches . BioMed Research International.

Khan, Muhammad Saad, Yousafi, Qudsia, Bibi, Shabana, Saleem, Shahzad, Hussain, Abrar, Hasan, Mohammad Mehedi, Tufail, Maria, Qandeel, Amina, Mazhar, Sania, Yousaf, Maha, et al. (2022). Identification of Novel and Safe Fungicidal Molecules against <i>Fusarium oxysporum</i> from Plant Essential Oils: In Vitro and Computational Approaches . BioMed Research International.

Khan, Muhammad Saad, Khan, Mehmand, Patujo, Jahangeer, Mushtaq, Iram, Ishtiaq, Ayesha, Tahir, Muhammad Nawaz, Bibi, Shabana, Ullah, Naimat, Mustafa, Ghazala, Mirza, Bushra, et al. (2022). Anti-diabetic potential, crystal structure, molecular docking, DFT, and optical-electrochemical studies of new dimethyl and diethyl carbamoyl-<i>N</i>, <i>N</i>′-disubstituted based thioureas . Journal of Molecular Structure.

Khan, Muhammad Saad, Chopra, Hitesh, Bibi, Shabana, Singh, Inderbir, Hasan, Mohammad Mehedi, Yousafi, Qudsia, Baig, Atif Amin, Rahman, Md. Mominur, Islam, Fahadul, Bin Emran, Talha, et al. (2022). Green Metallic Nanoparticles: Biosynthesis to Applications . Frontiers in Bioengineering and Biotechnology.

Khan, Muhammad Saad, Rahman, Md Mominur, Bibi, Shabana, Rahaman, Md Saidur, Rahman, Firoza, Islam, Fahadul, Hasan, Mohammad Mehedi, Parvez, Anwar, Hossain, Md Abid, Maeesa, Saila Kabir, et al. (2022). Natural therapeutics and nutraceuticals for lung diseases: Traditional significance, phytochemistry, and pharmacology . Biomedicine & Pharmacotherapy.

Khan, Muhammad Saad, Yousafi, Qudsia, Shahzad, Muhammad Sohail, Saleem, Shahzad, Sajid, Muhammad Wasim, Hussain, Abrar, Mehmood, Asim, Abid, Allah Ditta, Qandeel, Amina, Shahid, Anum, et al. (2022). Terpinen-4-ol from Trachyspermum ammi is a potential and safer candidate molecule for fungicide development against Alternaria solani . Journal of King Saud University - Science.

Khan, Muhammad Saad, Bibi, Shabana, El-Kafrawy, Sherif A., Alandijany, Thamir A., El-Daly, Mai M., Yousafi, Qudsia, Fatima, Dua, Faizo, Arwa A., Bajrai, Leena H., Azhar, Esam I. (2022). Virtual screening and molecular dynamics simulation analysis of Forsythoside A as a plant-derived inhibitor of SARS-CoV-2 3CLpro . Saudi Pharmaceutical Journal.

Khan, Muhammad Saad, Chopra, Hitesh, Bibi, Shabana, Kumar, Sandeep, Kumar, Pradeep, Singh, Inderbir (2022). Preparation and Evaluation of Chitosan/PVA Based Hydrogel Films Loaded with Honey for Wound Healing Application . Gels.

Khan, Muhammad Saad, Saleem, Shahzad, Bibi, Shabana, Yousafi, Qudsia, Hassan, Tehzeem, Hasan, Mohammad Mehedi, Chopra, Hitesh, Moustafa, Mahmoud, Al-Shehri, Mohammed, Khalid, Mohammad, et al. (2022). Identification of Effective and Nonpromiscuous Antidiabetic Drug Molecules from <i>Penicillium</i> Species . Evidence-based Complementary and Alternative Medicine.

Khan, Muhammad Saad, Sharma, Rahul Kumar, Bibi, Shabana, Chopra, Hitesh, Aggarwal, Navidha, Singh, Inderbir, Ahmad, Syed Umair, Hasan, Mohammad Mehedi, Moustafa, Mahmoud, Al-Shehri, Mohammed, et al. (2022). In Silico and In Vitro Screening Constituents of <i>Eclipta alba</i> Leaf Extract to Reveal Antimicrobial Potential . Evidence-based Complementary and Alternative Medicine.

Muhammad Saad Khan, Bareera Mehmood, Qudsia Yousafi, Shabana Bibi, Sahar Fazal, Shahzad Saleem, Muhammad Wasim Sajid, Awais Ihsan, Muhammad Azhar, Mohammad Amjad Kamal(2021). Molecular Docking Studies Reveal Rhein from rhubarb (Rheum rhabarbarum) as a Putative Inhibitor of ATP-binding Cassette Super-family G member 2 . Medicinal Chemistry. 17. (3). p. 273--288. Bentham Science Publishers Ltd.

Khan, Muhammad Saad, Mehmood, Bareera, Yousafi, Qudsia, Bibi, Shabana, Fazal, Sahar, Saleem, Shahzad, Sajid, Muhammad Wasim, Ihsan, Awais, Azhar, Muhammad, Kamal, Mohammad Amjad (2021). Molecular Docking studies reveals Rhein from rhubarb (Rheum rhabarbarum) as a putative inhibitor of ATP-binding Cassette Super Family G member 2 . Medicinal Chemistry.

Khan, Muhammad Saad, Saleem, Uzma, Bibi, Shabana, Shah, Muhammad Ajmal, Ahmad, Bashir, Saleem, Ammara, Chauhdary, Zunera, Anwar, Fareeha, Javaid, Nimra, Hira, Sundas, et al. (2021). Anti-Parkinson's evaluation of Brassica juncea leaf extract and underlying mechanism of its phytochemicals . Frontiers in Bioscience-Landmark.

Khan, Muhammad Saad, Yousafi, Qudsia, Sarfaraz, Ayesha, Saleem, Shahzad, Shahzad, Umbreen, Khan, Azhar Abbas, Sadiq, Mazhar, Abid, Allah Ditta, Shahzad, Muhammad Sohail, ul Hassan, Najam (2021). In silico annotation of unreviewed acetylcholinesterase (AChE) in some lepidopteran insect pest species reveals the causes of insecticide resistance . Saudi Journal of Biological Sciences.

Khan, Muhammad Saad, Naeem, Hina, Awan, Faisal Saeed, Dracatos, Peter Michael, Sajid, Muhammad Wasim, Saleem, Shahzad, Yousafi, Qudsia, Mehmood, Asim, Zulfiqar, Bushra (2021). Population structure and phylogenetic relationship of Peach [<i>Prunus persica</i> (L.) Batsch] and Nectarine [<i>Prunus persica</i> var. <i>nucipersica</i> (L.) CK Schneid.] based on retrotransposon markers . Genetic Resources and Crop Evolution.

Yousafi, Qudsia, Amin, Humaira, Bibi, Shabana, Rafi, Rafea, Khan, Muhammad S., Ali, Hamza, Masroor, Ashir (2021). Subtractive Proteomics and Immuno-informatics Approaches for Multi-peptide Vaccine Prediction Against Klebsiella oxytoca and Validation Through In Silico Expression . International Journal of Peptide Research and Therapeutics.

Bibi, Shabana, Sarfraz, Ayesha, Mustafa, Ghazala, Ahmad, Zeeshan, Zeb, Muhammad A., Wang, Yuan-Bing, Khan, Tahir, Khan, Muhammad S., Kamal, Mohammad A., Yu, Hong (2021). Impact of Traditional Plants and their Secondary Metabolites in the Discovery of COVID-19 Treatment . Current Pharmaceutical Design.

Khan, Muhammad Saad, Yousafi, Qudsia, Batool, Jannat, Perveen, Tamsila, Sajid, Muhammad Wasim, Hussain, Abrar, Mehmood, Asim, Saleem, Shahzad (2021). In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE) (vol, 45, pg 891, 2020) . International Journal of Peptide Research and Therapeutics.

Khan, Muhammad Saad, Yousafi, Qudsia, Batool, Jannat, Perveen, Tamsila, Sajid, Wasim, Hussain, Abrar, Mehmood, Asim, Saleem, Shahzad (2021). In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE) . International Journal of Peptide Research and Therapeutics.

Shabana Bibi and Ayesha Sarfraz and Ghazala Mustafa and Zeeshan Ahmed and Muhammad Aurang Zeb and Yuan-Bing Wang and Tahir Khan and Muhammad Saad Khan and Mohammad Amjad Kamal and Hong Yu(2020). The impact of traditional plants and their secondary metabolites in the discovery of COVID-19 treatment . Current Pharmaceutical Design. 26. Bentham Science Publishers Ltd.

Muhammad Saad Khan, Sitong Liu, Lichun Wang, Dongjun Jiang, Wei Wei, Mushyeda Fatima Nasir, Qudsia Yousafi, Xintong Liu, Xueqi Fu, Xiaomeng Li, et al.(2020). Sumoylation as an Emerging Target in Therapeutics against Cancer . Current Pharmaceutical Design. 26. (37). p. 4764--4776. Bentham Science Publishers Ltd.

Khan, Muhammad Saad, Liu, Sitong, Wang, Lichun, Jiang, Dongjun, Wei, Wei, Nasir, Mushyeda Fatima, Yousafi, Qudsia, Liu, Xintong, Fu, Xueqi, Li, Xiaomeng, et al. (2020). Sumoylation as an Emerging Target in Therapeutics against Cancer . Current Pharmaceutical Design.

Yousafi, Q., Azhar, M., Khan, M.S., Mehmood, A., Saleem, S., Sajid, M.W., Hussain, A., Kamal, M.A.(2020). Interaction of human dynein light chain 1 (DYNLL1) with enterochelin esterase (Salmonella typhimurium) and protective antigen (Bacillus anthraci) might be the potential cause of human infection . Saudi Journal of Biological Sciences. 27. (5). p. 1396-1402.

Khan, Muhammad Saad, Yousafi, Qudsia, Azhar, Maria, Mehmood, Asim, Saleem, Shahzad, Sajid, Muhammad Wasim, Hussain, Abrar, Kamal, Mohammad Amjad (2020). Interaction of human dynein light chain 1 (DYNLL1) with enterochelin esterase (<i>Salmonella typhimurium</i>) and protective antigen (<i>Bacillus anthraci</i>) might be the potential cause of human infection . Saudi Journal of Biological Sciences.

Liu, S., Wang, L., Jiang, D., Wei, W., Nasir, M.F., Khan, M.S., Yousafi, Q., Liu, X., Fu, X., Li, X., et al.(2020). Sumoylation as an emerging target in therapeutics against cancer . Current Pharmaceutical Design. 26. (37). p. 4765-4776.

Yousafi, Q., Batool, J., Khan, M.S., Perveen, T., Sajid, W., Hussain, A., Mehmood, A., Saleem, S.(2020). In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE) . International Journal of Peptide Research and Therapeutics.

Yousafi, Q., Batool, J., Khan, M.S., Perveen, T., Sajid, M.W., Hussain, A., Mehmood, A., Saleem, S.(2020). Correction to: In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE) (International Journal of Peptide Research and Therapeutics, (2020), 10.1007/s10989-020-10090-y) . International Journal of Peptide Research and Therapeutics.

Muhammad Saad Khan and Bareera Mehmood and Qudsia Yousafi and Shabana Bibi and Sahar Fazal and Shahzad Saleem and Muhammad Wasim Sajid and Awais Ihsan and Muhammad Azhar and Mohammad Amjad Kamal(2019). Molecular Docking studies reveals Rhein from rhubarb (Rheum rhabarbarum) as a putative inhibitor of ATP-binding Cassette Super Family G member 2 . Medicinal Chemistry. 16. Bentham Science Publishers Ltd.

Muhammad Saad KHAN, Qudsia YOUSAFI, Hafsa Ahmad ALI, Hamid RASHID(2019). In silico comparative proteomic analysis of enzymes involved in fatty acid biosynthesis in castor bean (Ricinus communis) and soybean (Glycine max) . TURKISH JOURNAL OF BOTANY. p. 1--26. The Scientific and Technological Research Council of Turkey

Khan, Muhammad Saad, Yousafi, Qudsia, Au, Hafsa Ahmad, Rashid, Hamid (2019). In silico comparative proteomic analysis of enzymes involved in fatty acid biosynthesis in castor bean (Ricinus communis) and soybean (Glycine max) . Turkish Journal of Botany.

Yousafi, Q., Kanwal, S., Rashid, H., Khan, M.S., Saleem, S., Aslam, M.(2019). In silico structural and functional characterization and phylogenetic study of alkaline phosphatase in bacterium, Rhizobium leguminosarum (Frank 1879) . Computational Biology and Chemistry. 83.

Khan, Muhammad Saad, Yousafi, Qudsia, Kanwal, Saba, Rashid, Hamid, Saleem, Shahzad, Aslam, Muhammad (2019). <i>In silico</i> structural and functional characterization and phylogenetic study of alkaline phosphatase in bacterium, <i>Rhizobium</i> <i>leguminosarum</i> (Frank 1879) . Computational Biology and Chemistry.

Khan, Muhammad Saad, Yousafi, Qudsia, Anwar, Hafsa, Rashid, Hamid, Ali, Qurban, Mehmood, Asim, Saleem, Shahzad, Sajid, Muhammad Wasim, Irfan, Rida, Masroor, Ashir (2019). INSECTICIDE RESISTANCE MANAGEMENT STRATEGY FOR <i>Aedes aegypti</i> L. AND <i>Anopheles gambiae</i> G. THROUGH PREDICTION OF POTENTIAL CHORION PEROXIDASE INHIBITORS USING COMPUTER AIDED DRUG DESIGNING APPROACH (CAAD) . Pakistan Journal of Agricultural Sciences.

Yousafi, Q., Ali, H.A., Rashid, H., Khan, M.S.(2019). In silico comparative proteomic analysis of enzymes involved in fatty acid biosynthesis in castor bean (Ricinus communis) and soybean (Glycine max) . Turkish Journal of Botany. 43. (1). p. 1-26.

Rizwan, S., Mehmood, A., Khalid, I., Khan, M.S., Yousafi, Q., Kalsoom, S., Rashid, H.(2018). Polypharmacology approach against migraine with aura and brain edema for the development of an efficient inhibitor and its analogues . Current Computer-Aided Drug Design. 14. (4). p. 385-390.

Khan, Muhammad Saad, Rizwan, Samawia, Mehmood, Asim, Khalid, Irum, Yousafi, Qudsia, Kalsoom, Saima, Rashid, Hamid (2018). Polypharmacology Approach Against Migraine with Aura and Brain Edema for the Development of an Efficient Inhibitor and its Analogues . Current Computer-Aided Drug Design.

Fatima, M., Khan, M.S., Rashid, H., Mehmood, A., Kanwal, S., Rasheed, M.A., Jamil, F.(2018). Structure Based Virtual Screening and Molecular Docking Studies for Identification of Allosteric Inhibitors against Zika Virus Protease NS2B-NS3 . Pakistan Journal of Zoology. 50. (5).

Khan, Muhammad Saad, Fatima, Musrrat, Rashid, Hamid, Mehmood, Asim, Kanwal, Sumaira, Rasheed, Muhammad Asif, Jamil, Farrukh (2018). Structure Based Virtual Screening and Molecular Docking Studies for Identification of Allosteric Inhibitors against Zika Virus Protease NS2B-NS3 . Pakistan Journal of Zoology.

Shumaila Azam and Anum Munir and Muhammad Saad Khan and Sahar Fazal and Azhar Mehmood and Sartaj Ali and Shahid Hussain(2017). In-Silico Identification of Novel Resistant Genes for Fungal Pathogen Fusarium oxysporum f. sp. cubense Race 4: Causative Agent of Banana Vascular Wilt Disease . Journal of Plant Biochemistry & Physiology. 05. (01). {OMICS} Publishing Group