Innovative Horizons in Drug Design: Exploring the Synthesis and Medicinal Properties of Heterocyclic Schiff Bases. A Review

Yousaf Khan, Hina Sarfraz, Wajid Rehman, Momin Khan, Liaqat Rasheed, Khursheed Ur Rahman

Mini reviews in medicinal chemistry

Novel hybrid indazole-based 2, 4-dihydro-3H-1, 2, 4-triazole-3-thione derivatives: design, synthesis, spectroscopic characterization, SAR, molecular docking, pharmacokinetics and toxicological activities

Sabeen Arshad, Aneela Maalik, Wajid Rehman, Yousaf Khan, Liaqat Rasheed, Ashwag S Alanazi, Mohamed Hefnawy, Ajaz Hussain, Safia Begum, Muhammad Yar, others

Pure and Applied Chemistry, De Gruyter, 2025

Computational identification and experimental validation of novel Saccharum officinarum microRNAs along with their targets through RT-PCR approach

Abdul Baqi, Samiullah, Jadoon Khan, Asma Sadiq, Yousaf Khan, Shahid Ali, Syed Nadeem ul Hassan Mohani, Naqeebullah Khan, Tawaf Ali Shah, Khalid S Almaary, others

Plant Signaling \& Behavior, vol. 20, Taylor \& Francis, 2025, p. 2452334

Synthesis, characterization and molecular modeling approach of hybrid pyrazole based thiazolidinone derivatives: An estimation and inhibition of diabetes mellitus

Mohammed B Hawsawi, Shoaib Khan, Tayyiaba Iqbal, Rafaqat Hussain, Yousaf Khan, Tayyaba Zahoor, Ayed A Dera

Journal of Molecular Structure, vol. 1322, Elsevier, 2025, p. 140407

Insight from molecular modeling and ADMET analysis: Design, synthesis and in vitro acetylcholinesterase and butyrylcholinesterase assessment of thiazolidinone containing benzoxazole hybrids derivatives

Rafaqat Hussain, Muhammad Irfan Afridi, Shoaib Khan, Yousaf Khan, Tayyiaba Iqbal, Liaqat Rasheed, Mohammad Shahidul Islam, Kholood A Dahlous

Journal of Molecular Structure, vol. 1322, Elsevier, 2025, p. 140589

Exploring target site interactions of 1, 3, 4-Oxadiazole/1, 3, 4-thiadiazole derivatives: Synthesis, characterization in vitro anti-urease and in silico molecular docking studies

Rafaqat Hussain, Shoaib Khan, Wajid Rehman, Zahoor Ullah, Yousaf Khan, Mamoon Ur Rashid, Tayyiaba Iqbal, Tariq Aziz, Metab Alharbi, Abdulrahman Alshammari, others

Journal of Molecular Structure, vol. 1320, Elsevier, 2025, p. 139578

A versatile inhibitory approach and molecular mechanism on cancer cells and cholinesterase enzymes: Synthesis, DFT, ADMET and molecular docking of thiadiazole and oxadiazole derivatives

Tayyiaba Iqbal, Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Fazal Rahim, Azam Hayat, Nasser S Awwad, Ali G Alkhathami

Journal of Molecular Structure, vol. 1322, Elsevier, 2025, p. 140325

Insights into the role of potent thiadiazole based Schiff base derivatives in targeting type-II diabetes: a combine in-vitro and in-silico approaches

Tayyiaba Iqbal, Shoaib Khan, Fazal Rahim, Muhammad Tayyab, Rafaqat Hussain, Yousaf Khan, Zanib Fiaz, Shanza Bibi, Hayat Ullah, Abdullah Yahya Abdullah Alzahrani, others

Journal of Molecular Structure, vol. 1321, Elsevier, 2025, p. 140000

Comparative studies via in vitro anti-Alzheimer of thiazolidinone based chalcone derivatives: Insight into the synthesis, molecular docking and ADME analysis

Urooj Jamal, Shoaib Khan, Tayyiaba Iqbal, Fazal Rahim, Rafaqat Hussain, Yousaf Khan, Hany W Darwish

Journal of Molecular Structure, Elsevier, 2025, p. 141532

A novel class of thiazole based thiadiazole hybrids: The privileged scaffolds of potent anti-Alzheimer's activity along with molecular docking and ADME analysis

Shoaib Khan, Sampath Chinnam, Tayyiaba Iqbal, Rafaqat Hussain, Mujadad Ur Rehman, Yousaf Khan, Javed Iqbal, Ayed A Dera

Journal of Molecular Structure, vol. 1321, Elsevier, 2025, p. 139775

Investigation of pyridine-bearing thiazolidinone derivatives as promising inhibitors of thymidine phosphorylase and $\alpha$-glucosidase: Theoretical and computational approaches to develop multitarget drugs

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz, Muhammad Irfan Afridi, Metab Alharbi, Fayez Alghamdi

Journal of Molecular Structure, vol. 1319, Elsevier, 2025, p. 139324

Biological study with molecular mechanism of imidazothiazole based Schiff bases as anti-Alzheimer agent: Insight into the role of synthesis, molecular docking and ADMET analysis

Shoaib Khan, Tayyiaba Iqbal, Tariq Mehmood, Rafaqat Hussain, Yousaf Khan, Javed Iqbal, Zia Ahmad, Hany W Darwish

Journal of Molecular Structure, vol. 1321, Elsevier, 2025, p. 139995

Medicinal approaches toward diabetes mellitus based on chloro-1H-indazole-derived triazolo-thiadiazole hybrid derivatives: design, synthesis, characterization, in vitro and in silico insights

Yousaf Khan, Shoaib Khan, Rafaqat Hussain, Anila Mukhtar, Hina Sarfraz, Syed Aminullah

Journal of the Iranian Chemical Society, Springer, 2025, pp. 1--19

Structural Properties of Lignin

Yousaf Khan, Anila Mukhtiar, Komal Arooj, Aiman Rehman, Shoaib Khan, Zia ur Rehman Panizai

Mohammad Jawaid, Akil Ahmad, Aatikah Meraj, Handbook of Lignin, Springer Nature Singapore, Singapore, 2025, pp. 1--33

Rice Husk Based Bio-composites

Yousaf Khan, Abdul Sattar, Syed Amin Ullah, Wajid Rehman, Shoaib Khan, Rafaqat Hussain, Samina Aslam, Zia Ur Rehman, Muhammad Nawaz, Urooba Gulshan

Rice Husk Biomass: Processing, Properties and Applications, Springer, 2025, pp. 235--270

Discovery of thiourea based acetylcholinesterase inhibitors and antibacterial agents: Synthesis, in vitro, structure-activity relationship and in silico study

Aneela Maalik, Ijaz Khan, Wajid Rehman, Sidra Faiz, Ashwag S Alanazi, Mohamed Hefnawy, Liaqat Rasheed, Syed Imran Hassan, Rafaqat Hussain, Magda H Abdellattif, others

Journal of Molecular Structure, vol. 1321, Elsevier, 2025, p. 140082

Synthesis of modified Schiff base appended 1, 2, 4-triazole hybrids scaffolds: elucidating the in vitro and in silico $\alpha$-amylase and $\alpha$-glucosidase inhibitors potential

Shahzad Ahmad Abbasi, Fazal Rahim, Rafaqat Hussain, Wajid Rehman, Shoaib Khan, Muhammad Taha, Tayyiaba Iqbal, Yousaf Khan, Syed Adnan Ali Shah

Zeitschrift f{\"u}r Naturforschung C, De Gruyter, 2024

Synthesis, confirmations and biological evaluation of acid substituted Schiff base Derivatives: Unraveling insight through SAR, DFT, ADMET and molecular docking

Zaineb Amjid, Shoaib Khan, Tayyiaba Iqbal, Rafaqat Hussain, Hafeeza Zafar Ali, Khurram Shoaib, Yousaf Khan, Hayat Ullah, Sabeen Arshad, Rashid Iqbal, others

Results in Chemistry, vol. 11, Elsevier, 2024, p. 101744

Synthesis, characterization, DFT, AMDET and molecular docking reveals the binding mechanism of hydroxyl containing bis-Schiff base derivatives: An approach toward Alzheimer disease

Sajeela Arif, Shoaib Khan, Tayyiaba Iqbal, Basappa C Yallur, Fazal Rahim, Rafaqat Hussain, Yousaf Khan, Hayat Ullah

Results in Chemistry, vol. 10, Elsevier, 2024, p. 101706

In vitro and in silico correlation of benzoxazole-based thiazolidinone hybrids derivatives: A promising acetylcholinesterase and butyrylcholinesterase inhibitors

Muhammad Ashraf, Rafaqat Hussain, Shoaib Khan, Wajid Rehman, Yousaf Khan, Asma Sardar, Tariq Aziz, Manal M Khowdiary

Journal of Molecular Structure, vol. 1301, Elsevier, 2024, p. 137317

Synthesis, in vitro anti-urease, In-silico molecular docking study and ADMET predictions of piperidine and piperazine Morita-Baylis-Hillman Adducts (MBHAs)

Samina Aslam, Sami Ullah, Hamid Ullah, Attiq Ur Rehman, Naqeebullah Khan, Abdul Baqi, Yousaf Khan

Zeitschrift f{\"u}r Naturforschung C, De Gruyter, 2024

Molecular modeling, synthesis, and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory activities of novel benzimidazole-bearing thiadiazole derivatives

Rafaqat Hussain, Muhammad Ashraf, Shoaib Khan, Fazal Rahim, Wajid Rehman, Muhammad Taha, Asma Sardar, Yousaf Khan, Imran Khan, Syed Adnan Ali Shah

Journal of Molecular Structure, vol. 1295, Elsevier, 2024, p. 136582

Development of promising acetylcholinesterase and butyrylcholinesterase inhibitors: Synthesis, in vitro and in silico approaches of pyridine derived fused bis-oxadiazole and bis-thiadiazole derivatives

Rafaqat Hussain, Shoaib Khan, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz, Metab Alharbi

Journal of Molecular Structure, vol. 1310, Elsevier, 2024, p. 138228

Design, synthesis and in vitro biological evaluation of new coumarin containing oxazole hybrid derivatives as multitarget inhibitor of $\alpha$-amylase and $\alpha$-glucosidase for the treatment of diabetes

Rafaqat Hussain, Muhammad Nabi, Shoaib Khan, Zakia Subhan, Fazal Rahim, Muhammad Saleh Faisal, Amjad Hussain, Hayat Ullah, Yousaf Khan, Mounir M Bekhit, others

Results in Chemistry, vol. 9, Elsevier, 2024, p. 101638

A promising acetylcholinesterase and butyrylcholinesterase inhibitors: In vitro enzymatic and in silico molecular docking studies of benzothiazole-based oxadiazole containing imidazopyridine hybrid derivatives

Rafaqat Hussain, Hayat Ullah, Shoaib Khan, Yousaf Khan, Tayyiaba Iqbal, Rashid Iqbal, Hesham S Almoallim, Mohammad Javed Ansari

Results in Chemistry, vol. 7, Elsevier, 2024, p. 101503

Novel indole based fused triazole-thiadiazole derivatives as anti-diabetic agents: in vitro and in silico approaches

Tayyiaba Iqbal, Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Khurram Shoaib, Rozeena, Masab Saeed, Hany W Darwish

Future Medicinal Chemistry, vol. 16, Taylor \& Francis, 2024, pp. 2475--2486

Benzothiazole based sulfonamide scaffolds as active inhibitors of alpha-Amylase and alpha-glucosidase; synthesis, structure confirmation, In Silico molecular docking and ADME analysis

Tayyiaba Iqbal, Shoaib Khan, Fazal Rahim, Rafaqat Hussain, Yousaf Khan, Shifa Felemban, MM Khowdiary

Journal of Molecular Structure, vol. 1309, Elsevier, 2024, p. 138074

Development of Thiazolidinone-Based Pyrazine Derivatives: Synthesis, Molecular Docking Simulation, and Bioevaluation for Anti-Alzheimer and Antibacterial Activities

Uzma Jehangir, Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Farhan Ali, Asma Sardar, Samina Aslam, Mozhgan Afshari

Journal of Chemistry, vol. 2024, Wiley Online Library, 2024, p. 8426930

In vitro and in silico correlation of bis-thiazole based Schiff base hybrids analogues: A computational approach develop to promising acetylcholinesterase and butyrylcholinesterase inhibitors

Uzma Jehangir, Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Fazal Rahim, Tayyiaba Iqbal, Tariq Aziz, Abdullah F Alasmari

Journal of Molecular Structure, vol. 1303, Elsevier, 2024, p. 137585

In vitro $\beta$--glucuronidase and in silico molecular docking studies of thiazole-fused-thiadiazole derivatives prepared through molecular-iodine promoted [3+ 2] oxidative cyclization

Imran Khan, Wajid Rehman, Rafaqat Hussain, Mohammed M Alanazi, Shoaib Khan, Liaqat Rasheed, Yousaf Khan, Abdul Saboor, Ashwag S Alanazi, Shahid Iqbal

Journal of Molecular Structure, vol. 1308, Elsevier, 2024, p. 138097

Medicinal perspectives, molecular docking and structure activity relationship of benzothiazole derived thiazole-based bis-benzohydrazide as potential anti-Alzheimer agents

Shoaib Khan, Ayed A Dera, Rafaqat Hussain, Tayyiaba Iqbal, Yousaf Khan, Zia Ahmad, Farman Ullah, Amjad Hussain

Results in Chemistry, vol. 10, Elsevier, 2024, p. 101742

Medicinal perspectives, molecular docking and structure activity relationship of benzothiazole derived thiazole-based bis-benzohydrazide as potential anti-Alzheimer agents

Shoaib Khan, Ayed A Dera, Rafaqat Hussain, Tayyiaba Iqbal, Yousaf Khan, Zia Ahmad, Farman Ullah, Amjad Hussain

Results in Chemistry, vol. 10, Elsevier, 2024, p. 101742

Medicinal perspectives, molecular docking and structure activity relationship of benzothiazole derived thiazole-based bis-benzohydrazide as potential anti-Alzheimer agents

Shoaib Khan, Ayed A Dera, Rafaqat Hussain, Tayyiaba Iqbal, Yousaf Khan, Zia Ahmad, Farman Ullah, Amjad Hussain

Results in Chemistry, vol. 10, Elsevier, 2024, p. 101742

Identification of novel benzothiazole--thiadiazole-based thiazolidinone derivative: in vitro and in silico approaches to develop promising anti-Alzheimer’s agents

Shoaib Khan, Rafaqat Hussain, Tayyiaba Iqbal, Yousaf Khan, Urooj Jamal, Hany W Darwish, Muhammad Adnan

Future Medicinal Chemistry, vol. 16, Taylor \& Francis, 2024, pp. 1601--1613

Recent development and strategies towards target interactions: Synthesis, characterization and in silico analysis of benzimidazole based thiadiazole as potential anti-Alzheimer agents

Shoaib Khan, Rafaqat Hussain, Tayyiaba Iqbal, Fazal Rahim, Yousaf Khan

Biochemical and Biophysical Research Communications, Elsevier, 2024, p. 150201

In silico DFT and molecular modeling of novel pyrazine-bearing thiazolidinone hybrids derivatives: elucidating in vitro anti-cancer and urease inhibitors

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz, Metab Alharbi

Zeitschrift f{\"u}r Naturforschung C, De Gruyter, 2024

In vitro enzymatic, in silico ADME and molecular docking based analysis for the identification of novel bis-indole containing triazine--thiazole hybrids derivatives as promising urease inhibitors

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz, Metab Alharbi

Zeitschrift f{\"u}r Naturforschung C, De Gruyter, 2024

Correlation between in vitro anti-urease activity and in silico molecular modeling approach of novel imidazopyridine--oxadiazole hybrids derivatives

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Tariq Aziz, Metab Alharbi

Open Chemistry, vol. 22, De Gruyter, 2024, p. 20230210

Hybrid benzothiazole derived fused triazole/thiazole derivatives as versatile anti-Alzheimer agents: Synthesis, characterization, biological evaluation and molecular docking studies

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Sampath Chinnam, Muhammad Akif, Ayed A Dera

Journal of Molecular Structure, vol. 1318, Elsevier, 2024, p. 139200

Novel bis-thiazole-thiazolidinone hybrid derivatives: Synthesis, structural properties and anticholinesterase bioactive potential as drug competitor based on docking studies

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Hany W Darwish, Mohamed GH Ali

Journal of Molecular Structure, vol. 1303, Elsevier, 2024, p. 137417

Synthesis, confirmation based on in vitro and in silico study of thiadiazole-based thiazolidinone scaffolds: An approach toward Covid-19

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Mohammad Shahidul Islam, Tahani Mazyad Almutairi

Results in Chemistry, vol. 12, Elsevier, 2024, p. 101845

Insight into role of triazole derived Schiff base bearing sulfonamide derivatives in targeting Alzheimer's disease: Synthesis, characterization, in vitro and in silico assessment

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Muhammad Bilal Khan, Khairia Mohammed Al-Ahmary, Saedah R Al Mhyawi

Journal of Molecular Structure, Elsevier, 2024, p. 138845

Novel benzimidazole-based thiazole derivatives as a magic bullet for controlling diabetes mellitus based on synthetic and computational approaches

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Khurram Shoaib, Kanwal Batool, Shifa Felemban, MM Khowdiary

Results in Chemistry, Elsevier, 2024, p. 101574

Developing Correlation Between In Silico Molecular Modeling and In Vitro $\alpha$-Amylase, Anti-Cancer and SARS-COV-2 Studies of Bis-Indole Derived Triazine-Based Thiazolidinone Hybrid Derivatives

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Khurram Shoaib, Uzma Jehangir, MM Khowdiary, Shifa Felemban

ChemistrySelect, vol. 9, Wiley Online Library, 2024, pp. e202400686

Synthesis, Spectral Analysis and Molecular Docking Investigation of Thiadiazole Based Sulfonamide Derivatives: An Effective Approach Toward Alzheimer's Disease

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Yameena Tahir, Abdul Hafeez, Hany W Darwish, Muhammad Adnan

ChemistrySelect, vol. 9, Wiley Online Library, 2024, pp. e202401473

Facile benzothiazole-triazole based thiazole derivatives as novel thymidine phosphorylase and $\alpha$-glucosidase inhibitors: Experimental and computational approaches

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Farman Ullah, Shifa Felemban, MM Khowdiary

Enzyme and Microbial Technology, Elsevier, 2024, p. 110470

Identification of 1, 2, 4-triazole-bearing Bis-Schiff base hybrid scaffolds: In vitro and in silico insights to develop promising anti-urease and anti-cancer agents

Shoaib Khan, Rafaqat Hussain, Hayat Ullah, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Rashid Iqbal, Ihsan Ullah Khan, Hesham S Almoallim, Mohammad Javed Ansari

Results in Chemistry, vol. 7, Elsevier, 2024, p. 101540

Synthesis, Characterizations, Anti-Diabetic and Molecular Modeling Approaches of Hybrid Indole-Oxadiazole Linked Thiazolidinone Derivatives

Shoaib Khan, Tayyiaba Iqbal, Rafaqat Hussain, Yousaf Khan, Zanib Fiaz, Fazal Rahim, Hany W Darwish

Pharmaceuticals, vol. 17, MDPI, 2024, p. 1428

Structure based design, synthesis of novel fused triazole-thiazole derivatives and their comparative study on Alzheimer disease along with in silico modeling

Shoaib Khan, Tayyiaba Iqbal, Rafaqat Hussain, Yousaf Khan, Hayat Ullah, Urooj Jamal, Rashid Iqbal, Saleh Alfarraj, Sulaiman Ali Alharbi, others

Results in Chemistry, Elsevier, 2024, p. 101590

Novel pyrrole based triazole moiety as therapeutic hybrid: synthesis, characterization and anti-Alzheimer potential with molecular mechanism of protein ligand profile

Shoaib Khan, Tayyiaba Iqbal, Muhammad Bilal Khan, Rafaqat Hussain, Yousaf Khan, Hany W Darwish

BMC chemistry, vol. 18, Springer, 2024, p. 223

Experimental and computational pharmacological approaches decoding the anti-diabetic molecular mechanism of indole based triazole bearing sulfonothioate derivatives

Shoaib Khan, Tayyiaba Iqbal, Yousaf Khan, Rafaqat Hussain, Muhammad Saleem Khan, Hayat Ullah, Tayyaba Zahoor, Zanib Fiaz, Muhmmad Siraj, Rashid Iqbal, others

Results in Chemistry, vol. 10, Elsevier, 2024, p. 101707

Exploring effective diagnosis of Alzheimer disease: experimental and computational analysis of hybrid benzimidazole based thiazolidinone derivatives

Shoaib Khan, Yousaf Khan, Ayman M Al-Qaaneh, Rafaqat Hussain, Tayyiaba Iqbal, Hayat Ullah, Khurram Shoaib, Aneela Maalik, Muhammad Bilal Khan, Muhammad Akif, others

Results in Chemistry, vol. 9, Elsevier, 2024, p. 101663

Design, synthesis, in vitro biological assessment and in silico molecular modeling study of thiazole-thiazolidinone derivatives as potent anti-cancer agents

Shoaib Khan, Hayat Ullah, Rafaqat Hussain, Misbah Ullah Khan, Yousaf Khan, Amjad Hussain, Tayyiaba Iqbal, Hamid Ali, Rashid Iqbal, Muhammad Irfan Akram, others

Results in Chemistry, vol. 7, Elsevier, 2024, p. 101507

In-vitro and in-silico assessment of thiazole-thiazolidinone derivatives as selective inhibitors of urease and $\alpha$-glucosidase

Yousaf Khan, Rafaqat Hussain, Wajid Rehman, Shoaib Khan, Aneela Maalik, Tayyiaba Iqbal, Tariq Aziz, Muhammad Irfan Afridi, Metab Alharbi, Abdullah F Alasmari

Future Medicinal Chemistry, vol. 16, Taylor \& Francis, 2024, pp. 2627--2636

Current Trends in the Development of Vaccines from Micro to Industrial Level

Yousaf Khan, Aneela Maalik, Hakeemullah, Abdul Sattar, Danial Mazhar, Muhammad Zaffar Hashmi, Madeeha Bibi, Samina Aslam, Syed Amin Ullah, Bashir Ahmed

Recent Advances in Industrial Biochemistry, Springer, 2024, pp. 371--397

Synthesis, in vitro bio-evaluation and in silico molecular docking studies of thiadiazole-based Schiff base derivatives

Yousaf Khan, Aneela Maalik, Wajid Rehman, Mohammed M Alanazi, Shoaib Khan, Rafaqat Hussain, Liaqat Rasheed, Abdul Saboor, Shahid Iqbal

Future Medicinal Chemistry, vol. 16, Taylor \& Francis, 2024, pp. 335--348

Chemicals That Disrupt the Endocrine System and Their Effects on Behavior

Yousaf Khan, Abdul Sattar, Syed Amin Ullah, others

Kashmir Journal of Science, vol. 3, 2024

Investigation of novel benzimidazole-based indole/thiazole hybrids derivatives as effective anti-diabetics and anti-alzheimer's agents: Structure-activity relationship insight, in vitro and in silico approaches

Haseena Naz, Mohamed S Othman, Fazal Rahim, Rafaqat Hussain, Shoaib Khan, Muhammad Taha, Mohamed M Hafez, Lina JM Abdel-Hafez, Hayat Ullah, Ihsan Ullah Khan, others

Journal of Molecular Structure, vol. 1312, Elsevier, 2024, p. 138592

In silico molecular modeling and in vitro biological screening of novel benzimidazole-based piperazine derivatives as potential acetylcholinesterase and butyrylcholinesterase inhibitors

Haseena Naz, Fazal Rahim, Rafaqat Hussain, Shoaib Khan, Wajid Rehman, Yousaf Khan, Tariq Aziz, Metab Alharbi

Zeitschrift f{\"u}r Naturforschung C, De Gruyter, 2024

Synthesis, spectroscopy and biological investigation via DFT, ADMET and molecular docking of Thiadiazole/Oxadiazole based bis-Schiff bases: a potential towards diabetes and microbes

Sania Parveen, Shoaib Khan, Tayyiaba Iqbal, Ayed A Dera, Rafaqat Hussain, Yousaf Khan

Results in Chemistry, vol. 11, Elsevier, 2024, p. 101787

Integrated insights into the Synthesis and biological significances of novel benzofuran based oxadiazole/thiadiazole derivatives: A comprehensive computational and experimental study

Zahoor Ullah, Wajid Rehman, Mamoon Ur Rashid, Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Shifa Felemban, MM Khowdiary, others

Journal of Molecular Structure, Elsevier, 2024, p. 138726

A combined in vitro and in silico approach of thiadiazole based Schiff base derivatives as multipotent inhibitor: Synthesis, spectral analysis, antidiabetic and antimicrobial activity

Tayyaba Zahoor, Shoaib Khan, Sampath Chinnam, Tayyiaba Iqbal, Rafaqat Hussain, Yousaf Khan, Hayat Ullah, Saima Daud, Rashed Rahman, Rashid Iqbal, others

Results in Chemistry, vol. 9, Elsevier, 2024, p. 101671

Biologically potent benzimidazole-based-substituted benzaldehyde derivatives as potent inhibitors for alzheimer’s disease along with molecular docking study

Bushra Adalat, Fazal Rahim, Wajid Rehman, Zarshad Ali, Liaqat Rasheed, Yousaf Khan, Thoraya A Farghaly, Sulaiman Shams, Muhammad Taha, Abdul Wadood, others

Pharmaceuticals, vol. 16, MDPI, 2023, p. 208

Synthesis, in vitro $\alpha$-glucosidase, anti-bacterial, anti-fungal activities and in silico molecular docking studies of benzohydrazide derivatives

Muhammad Mujeeb Ali, Shoaib Khan, Hayat Ullah, Irfan Ahmad, Obaid Ur Rehman Abid, Rafaqat Hussain, Yousaf Khan, Khurram Shoaib, Farhan Ali, Mohammed A Assiri

Chemical Data Collections, vol. 48, Elsevier, 2023, p. 101088

Investigation of novel benzoxazole-oxadiazole derivatives as effective anti-Alzheimer’s agents: in vitro and in silico approaches

Saeed Anwar, Wajid Rehman, Rafaqat Hussain, Shoaib Khan, Mohammed M Alanazi, Nawaf A Alsaif, Yousaf Khan, Shahid Iqbal, Adeela Naz, Muhammad Ali Hashmi

Pharmaceuticals, vol. 16, MDPI, 2023, p. 909

Identification and validation of functional miRNAs and their main targets in Sorghum bicolor

Abdul Baqi, Samiullah, Wajid Rehman, Iram Bibi, Farid Menaa, Yousaf Khan, Doha A Albalawi, Abdul Sattar

Molecular Biotechnology, Springer, 2023, pp. 1--15

Benzimidazole-based schiff base hybrid scaffolds: a promising approach to develop multi-target drugs for alzheimer’s disease

Rafaqat Hussain, Shoaib Khan, Hayat Ullah, Farhan Ali, Yousaf Khan, Asma Sardar, Rashid Iqbal, Farid S Ataya, Nasser M El-Sabbagh, Gaber El-Saber Batiha

Pharmaceuticals, vol. 16, MDPI, 2023, p. 1278

Investigation of novel bis-thiadiazole bearing schiff base derivatives as effective inhibitors of thymidine phosphorylase: Synthesis, in vitro bioactivity and molecular docking study

Rafaqat Hussain, Wajid Rehman, Shoaib Khan, Fadi Jaber, Fazal Rahim, Mazloom Shah, Yousaf Khan, Shahid Iqbal, Haseena Naz, Imran Khan, others

Saudi Pharmaceutical Journal, Elsevier, 2023, p. 101823

Imidazopyridine-based thiazole derivatives as potential antidiabetic agents: synthesis, in vitro bioactivity, and in silico molecular modeling approach

Rafaqat Hussain, Wajid Rehman, Shoaib Khan, Aneela Maalik, Mohamed Hefnawy, Ashwag S Alanazi, Yousaf Khan, Liaqat Rasheed

Pharmaceuticals, vol. 16, MDPI, 2023, p. 1288

Synthesis, in vitro thymidine phosphorylase inhibitory activity and molecular docking study of novel pyridine-derived bis-oxadiazole bearing bis-schiff base derivatives

Rafaqat Hussain, Wajid Rehman, Fazal Rahim, Shoaib Khan, Ashwag S Alanazi, Mohammed M Alanazi, Liaqat Rasheed, Yousaf Khan, Syed Adnan Ali Shah, Muhammad Taha

Arabian Journal of Chemistry, vol. 16, Elsevier, 2023, p. 104773

Discovery of imidazopyridine derived oxadiazole-based thiourea derivatives as potential anti-diabetic agents: Synthesis, in vitro antioxidant screening and in silico molecular modeling approaches

Rafaqat Hussain, Wajid Rehman, Fazal Rahim, Shoaib Khan, Muhammad Taha, Yousaf Khan, Asma Sardar, Imran Khan, Syed Adnan Ali Shah

Journal of Molecular Structure, vol. 1293, Elsevier, 2023, p. 136185

Synthesis, molecular docking and ADMET studies of bis-benzimidazole-based thiadiazole derivatives as potent inhibitors, in vitro $\alpha$-amylase and $\alpha$-glucosidase

Shoaib Khan, Shahid Iqbal, Wajid Rehman, Nadia Hussain, Rafaqat Hussain, Mazloom Shah, Farhan Ali, Ahmed M Fouda, Yousaf Khan, Ayed A Dera, others

Arabian Journal of Chemistry, vol. 16, Elsevier, 2023, p. 104847

Bis-indole based triazine derivatives: Synthesis, characterization, in vitro $\beta$-glucuronidase anti-cancer and anti-bacterial evaluation along with in silico molecular docking and ADME analysis

Shoaib Khan, Wajid Rehman, Fazal Rahim, Rafaqat Hussain, Ahmad J Obaidullah, Hadil Faris Alotaibi, Mohammed M Alanazi, Muhammad Usman Khan, Yousaf Khan

Arabian Journal of Chemistry, vol. 16, Elsevier, 2023, p. 104970

Synthesis, in vitro bio-evaluation, and molecular docking study of thiosemicarbazone-based isatin/bis-Schiff base hybrid analogues as effective cholinesterase inhibitors

Shoaib Khan, Hayat Ullah, Rafaqat Hussain, Yousaf Khan, Misbah Ullah Khan, Mehmand Khan, Abdul Sattar, Muhammad Saleem Khan

Journal of Molecular Structure, vol. 1284, Elsevier, 2023, p. 135351

Synthesis, biological evaluation and molecular docking study of pyrimidine based thiazolidinone derivatives as potential anti-urease and anti-cancer agents

Shoaib Khan, Hayat Ullah, Fazal Rahim, Rafaqat Hussain, Yousaf Khan, Muhammad Saleem Khan, Rashid Iqbal, Baber Ali, Mohammed Fahad Albeshr

Journal of Saudi Chemical Society, vol. 27, Elsevier, 2023, p. 101688

The synthesis, in vitro bio-evaluation, and in silico molecular docking studies of pyrazoline--thiazole hybrid analogues as promising anti-$\alpha$-glucosidase and anti-urease agents

Yousaf Khan, Shoaib Khan, Rafaqat Hussain, Aneela Maalik, Wajid Rehman, Mohamed W Attwa, Rafia Masood, Hany W Darwish, Hazem A Ghabbour

Pharmaceuticals, vol. 16, MDPI, 2023, p. 1650

Identification of Indazole-Based Thiadiazole-Bearing Thiazolidinone Hybrid Derivatives: Theoretical and Computational Approaches to Develop Promising Anti-Alzheimer’s Candidates

Yousaf Khan, Shoaib Khan, Rafaqat Hussain, Wajid Rehman, Aneela Maalik, Urooba Gulshan, Mohamed W Attwa, Hany W Darwish, Hazem A Ghabbour, Nawab Ali

Pharmaceuticals, vol. 16, MDPI, 2023, p. 1667

Hybrid molecules of thiadiazole-based benzothioate and benzenesulfonothioate: synthesis, structural analysis, and evaluation as potential inhibitors of thymidine phosphorylase and $\beta$-glucuronidase through in vitro and in silico approaches

Yousaf Khan, Shoaib Khan, Wajid Rehman, Rafaqat Hussain, Aneela Maalik, Farhan Ali, Muhammad Usman Khan, Abdul Sattar, Mohammed A Assiri

Journal of Molecular Structure, vol. 1294, Elsevier, 2023, p. 136439

Identification of novel oxadiazole-based benzothiazole derivatives as potent inhibitors of $\alpha$-glucosidase and urease: synthesis, in vitro bio-evaluation and their in silico molecular docking study

Yousaf Khan, Aneela Maalik, Wajid Rehman, Rafaqat Hussain, Shoaib Khan, Mohammed M Alanazi, Hanadi H Asiri, Shahid Iqbal

Journal of Saudi Chemical Society, vol. 27, Elsevier, 2023, p. 101682

Benzothiazole-based 1, 3, 4-thiadiazole hybrids derivatives as effective inhibitors of urease and thymidine phosphorylase: synthesis, in vitro and in silico approaches

Yousaf Khan, Wajid Rehman, Rafaqat Hussain, Shoaib Khan, Aneela Maalik

Journal of Molecular Structure, vol. 1291, Elsevier, 2023, p. 135945

Extraction, Isolation and Biosynthetic Scheme of Terpenoids and its Pharmaceutical Activities in Drug Designing and Drug Development

Yousaf Khan, Abdul Sattar, Muhammad Nawaz, Syed Amin Ullah, Muhammad Shakir Naeem, Madeeha Bibi, others

Kashmir Journal of Science, vol. 2, 2023, pp. 7--23

Design, synthesis, in silico testing, and in vitro evaluation of thiazolidinone-based benzothiazole derivatives as inhibitors of $\alpha$-amylase and $\alpha$-glucosidase

Shoaib Khan, Shahid Iqbal, Marwa Khan, Wajid Rehman, Mazloom Shah, Rafaqat Hussain, Liaqat Rasheed, Yousaf Khan, Ayed A Dera, Rami Adel Pashameah, others

Pharmaceuticals, vol. 15, MDPI, 2022, p. 1164

New quinoline-based triazole hybrid analogs as effective inhibitors of $\alpha$-amylase and $\alpha$-glucosidase: Preparation, in vitro evaluation, and molecular docking along with in silico studies

Yousaf Khan, Shahid Iqbal, Mazloom Shah, Aneela Maalik, Rafaqat Hussain, Shoaib Khan, Imran Khan, Rami Adel Pashameah, Eman Alzahrani, Abd-ElAziem Farouk, others

Frontiers in Chemistry, vol. 10, Frontiers Media SA, 2022, p. 995820

New biologically potent benzimidazole-based-triazole derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors along with molecular docking study

Yousaf Khan, Wajid Rehman, Rafaqat Hussain, Shoaib Khan, Aneela Malik, Marwa Khan, Anjum Liaqat, Liaqat Rasheed, Faiza Begum, Srosh Fazil, others

Journal of Heterocyclic Chemistry, vol. 59, Wiley Online Library, 2022, pp. 2225--2239

Endocrine-disrupting compounds

Yousaf Khan Mandokhail, Aneela Maalik, Muhammad Zaffar Hashmi, Umar Farooq, Muhammad Nawaz, Zia Ur Rehman, Abdul Sattar, Bashir Ahmad

Environmental Micropollutants, Elsevier, 2022, pp. 183--199