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  1. Fulltext Leucocytosis in a case of Lung Cancer: Infection or Paraneoplastic Syndrome? - Dilemma in Diagnosis and Treatment
    Pandit S, Choudhury S, Das SK, Nandi S
    Med J Malaysia, 2012 Oct;67(5):542-4.
    PMID: 23770881
    A 65 year old male smoker was diagnosed with squamous cell carcinoma of upper lobe of the right lung complicated with Horner's syndrome and gradually increasing leucocytosis. Alhough the inflammatory biomarker level in serum was low, there was no definite way to determine the cause of the leucocytosis (whether infection or hematologic paraneoplastic syndrome). After empirical antibiotic therapy, his fever subsided but the leucocytosis persisted. It was difficult for us to take a decision regarding the priority of the treatment of infection or the lung cancer. Only after the first cycle chemotherapy, did the leucocytosis rapidly drop down. Normal serum procalcitonin level and quick response to chemotherapy indicated that leucocytosis was a manifestation of paraneoplastic syndrome. Treating the underlying cancer is the first step.
  2. Fulltext An unusual presentation of adult onset Still's disease
    Ghosal A, Pal RB, Das SK, Das T
    Med J Malaysia, 2012 Oct;67(5):532-3.
    PMID: 23770876
    Adult onset still's disease usually presents with high grade intermittent fever, polyarthritis, salmon pink evanescent rash and hepatosplenomegaly. Pulmonary involvement in the form of pneumonitis, as a presenting feature is very rare. We report a case of a young lady who presented with fever, cough and respiratory distress. Chest X-ray revealed patchy infiltration in left upper lung zone. She was subsequently diagnosed as Adult onset Still's disease. There was no improvement in clinical condition despite five days of antibiotics. On trans-bronchial lung biopsy (TBLB) proved she had interstitial pneumonitis and responded dramatically to steroid treatment.
  3. Plasmodium inui-like infection producing a presumably fatal illness in a leaf monkey Presbytis johnii--a previously undescribed host
    Das SK, Strauss JM, Chee CT
    Med J Malaya, 1966 Jun;20(4):323.
    PMID: 4224342
  4. Fulltext Rising Temperature Effects on Growth and Gastric Emptying Time of Freshwater African Catfish (Clarias Gariepinus) Fingerlings
    Kasihmuddin SM, Ghaffar MA, Das SK
    Animals (Basel), 2021 Dec 08;11(12).
    PMID: 34944272 DOI: 10.3390/ani11123497
    The present study was carried out to analyse the effect of water temperature on two components: (1) growth performance, and (2) gastric emptying time (GET) of African catfish Clarias gariepinus fingerlings. After 70 days, it was observed that experimental temperatures had no significant effects on the growth performance parameters, except for food conversion ratio (FCR) and food conversion efficiency (FCE). GET observation through X-radiography denoted that the shortest GET (10 h) was observed in fish reared at 32 °C and the longest GET (16 h) was observed in fish reared at 26 °C. The rapid digestion rate coincides with the FCR and FCE obtained in this study. Considering the limited scope of our study, more extensive studies on the impact of water temperature on other fish physiological parameters should be pursued. A better understanding of this research topic would be beneficial for the growth of African catfish fingerling aquaculture.
  5. Effects of acclimation temperatures on the respiration physiology and thermal coefficient of Malabar blood snapper
    Mazumder SK, Ghaffar MA, Tomiyama T, Das SK
    Respir Physiol Neurobiol, 2019 10;268:103253.
    PMID: 31301383 DOI: 10.1016/j.resp.2019.103253
    This study tested the oxygen consumption rates (OCR), energy, and thermal coefficient of juvenile Lutjanus malabaricus (60 fish, size: 4.53 ± 1.14 g) at four temperatures of 22, 26, 30 and 34 °C. During 30 days of experimental period 5 fish tank-1 were reared at four temperatures with three replicates in intermittent flow respirometers in a recirculatory system under laboratory conditions. As expected, oxygen consumption rates increased significantly (P 
  6. Fulltext An Experimental Evaluation of Adaptogenic Potential of Standardized Epipremnum Aureum Leaf Extract
    Das SK, Sengupta P, Mustapha MS, Sarker MMR
    J Pharm Bioallied Sci, 2017 Apr-Jun;9(2):88-93.
    PMID: 28717330 DOI: 10.4103/0975-7406.183227
    BACKGROUND: Stress is a normal part of everyday life but chronic stress can lead to a variety of stress-related illnesses including hypertension, anxiety, and depression. In the present investigation, standardized leaf extract of Epipremnumaureum was evaluated for its anti-stress potential.

    MATERIALS AND METHODS: For the evaluation of anti-stress activity, groups of mice (n = 6) were subjected to forced swim stress and anoxic stress tolerance test in mice 1h after daily treatment of E.aureumextract. Diazepam (5 mg/kg) was taken as a reference standard. Urinary vanillylmandelic acid (VMA) and ascorbic acid were selected as noninvasive biomarkers to assess the anti-stress activity and plasma cortisol, blood ascorbic acid, and weight of adrenal were measured. The 24 h urinary excretion of VMA and ascorbic acid were determined by spectrophotometric methods in all groups under normal and stressed conditions. The hematological parameters (neutrophils, lymphocytes, and eosinophils) were also determined.

    RESULTS: Administration of E.aureumat doses of 400 and 600 mg/kg wasfound to be effective in inhibiting the stress induced urinary biochemical changes in a dose-dependent manner. Treatment with E. aureum extract prevents the rise in blood ascorbic acid and plasma cortisol. Moreover, the extract prevented the increase in weight of adrenal gland also significantly increased the anoxia stress tolerance time. Dose-dependent significant reduction in white blood cell count was observed in anoxic stress tolerance test as compared to stressed group.

    CONCLUSION: Hence, the present study provides scientific support for the positiveadaptogenic effect of E. aureum extract.
  7. Fulltext Effects of temperature and diet on length-weight relationship and condition factor of the juvenile Malabar blood snapper (Lutjanus malabaricus Bloch & Schneider, 1801)
    Mazumder SK, Das SK, Bakar Y, Ghaffar MA
    J Zhejiang Univ Sci B, 2016 Aug;17(8):580-90.
    PMID: 27487803 DOI: 10.1631/jzus.B1500251
    In this study we aimed to analyze the effects of water temperature and diet on the length-weight relationship and condition of juvenile Malabar blood snapper Lutjanus malabaricus over a 30-d experimental period. The experiment was conducted in the laboratory using a flow-through-sea-water system. The fish were subjected to four different temperatures (22, 26, 30, and 34 °C) and two diets (commercial pellet and natural shrimp). Fish were fed twice daily. L. malabaricus exhibited negative allometric growth (b<3) at the beginning of the experiment (Day 0) at all temperatures and both diets except for 22 °C fed with shrimp, which showed isometric growth (b=3). Conversely, at the end of the experiment (Day 30) fish showed isometric growth (b=3) at 30 °C fed with the pellet diet, indicating that the shape of the fish did not change with increasing weight and length, and a positive allometric growth (b>3) at 30 °C fed with shrimp diet, which indicated that fish weight increases faster than their length. The rest of the temperatures represented negative allometric growth (b<3) on both diet, meaning that fish became lighter with increasing size. The condition factors in the initial and final measurements were greater than 1, indicating the state of health of the fish, except for those fed on a pellet diet at 34 °C. However, the best condition was obtained at 30 °C on both diets. Nevertheless, diets did not have a significant effect on growth and condition of juvenile L. malabaricus. The data obtained from this study suggested culturing L. malabaricus at 30 °C and feeding on the pellet or shrimp diet, which will optimize the overall production and condition of this commercially important fish species.
  8. Effect of different temperature variations on the physiological state of catfish species: a systematic review
    Kasihmuddin SM, Cob ZC, Noor NM, Das SK
    Fish Physiol Biochem, 2024 Apr;50(2):413-434.
    PMID: 38367084 DOI: 10.1007/s10695-024-01323-8
    Catfish are a highly diverse group of fish that are found in various regions across the globe. The significance of catfish culture extends to various aspects, including food security, economic advancement, preservation of cultural legacy, and ecological stewardship. The catfish industry is presently encountering unprecedented challenges as a consequence of the variability in water temperature caused by climate change. Temperature is a significant abiotic component that regulates and restricts fish physiology throughout their life cycle. The impact of severe temperatures on various species of catfish is dependent upon the magnitude of the stressor and additional influencing factors. This paper presents an analysis of the effects of temperature fluctuations on various aspects of catfish species, including growth and survival, blood parameters, enzymatic and hormone response, oxygen consumption rates, sound generation and hearing skills, nutritional requirements, and other phenotypic attributes. While this review is certainly not exhaustive, it offers a broad synopsis of the ideal temperature ranges that are most favorable for several catfish species. In-depth research to investigate the interacting impacts of severe temperature occurrences in conjunction with other associated environmental stresses on a wider variety of catfish species is crucial in order to further our understanding of how catfish species will respond to the anticipated climate change in the future.
  9. Safety profiling of pioglitazone and telmisartan combination by sub-chronic toxicity study in rat
    Sengupta P, Das A, Ibrahim F, Mandal UK, Chatterjee B, Mahmood S, et al.
    Regul Toxicol Pharmacol, 2016 Aug 26;81:155-161.
    PMID: 27569202 DOI: 10.1016/j.yrtph.2016.08.009
    It has been reported that the major cause of mortality in diabetes is cardiovascular diseases and contribution of hypertension is significant in this context. Pioglitazone, a thiazolidinedione class of therapeutic agent is used to treat type 2 diabetes mellitus. Telmisartan, an angiotensin receptor blocker antihypertensive has been reported to have beneficial effect if co-administered with pioglitazone for the management of diabetes complications. The present research work aims to evaluate the safety/toxicity profile of this combination in rat model. The investigation was carried out after co-administering the drugs to the rats for 28 days at three dose levels of 50, 100 and 150 mg/kg covering low to high dose ranges. Various hematological and biochemical parameters were studied in addition to the histopathology of the major organs in order to evaluate the toxicity profile of the combination. Absence of mortality and histopathological changes as well as unaltered hematological and biochemical parameters was observed. This preliminary investigation concludes that the combination of pioglitazone and telmisartan can primarily be stated as safe in animals, even at the dose level which is several folds higher than the intended human dose. Thus, this combination can be explored in future to develop a rational therapy regimen to treat hypertensive diabetic patients.
  10. Synthesis and characterization of interpenetrating polymeric networks based bio-composite alginate film: A well-designed drug delivery platform
    Ghosal K, Das A, Das SK, Mahmood S, Ramadan MAM, Thomas S
    Int J Biol Macromol, 2019 Jun 01;130:645-654.
    PMID: 30797807 DOI: 10.1016/j.ijbiomac.2019.02.117
    This study aimed to develop and characterize the calcium alginate films loaded with diclofenac sodium and other hydrophilic polymers with different degrees of cross-linking obtained by external gelation process. To the formed films different physicochemical evaluation were performed which showed an initial character of the films. The films produced by this external gelation process were found thicker (0.031-0.038 mm) and stronger (51.9-52.9 MPa) but less elastic (2.3%) than those non-cross-linked films (0.029 mm; 39.7 MPa; 4.4%). The lower water vapor permeability (WVP) values of the films were obtained where maximum level of crosslinking occurs. Composite films can be cross-linked in presence of external crosslinking agent to improve the quality of the produced matrices for various uses. The characterization of the film was performed using Differential Scanning Calorimetry (DSC) and Fourier-Transform Infrared Spectroscopy (FT-IR) analysis. The Scanning Electron Microscopy (SEM) study showed the morphology of treated composite films. The kinetic release studies showed a sustained release of the drug from the formulated films as it can be prolonged in composite film. The prepared biodegradable Ca-Alginate bio-composite film may be of clinical importance for its therapeutic benefit.
  11. Efficacy of fasting calorie restriction on quality of life among aging men
    Teng NI, Shahar S, Manaf ZA, Das SK, Taha CS, Ngah WZ
    Physiol Behav, 2011 Oct 24;104(5):1059-64.
    PMID: 21781980 DOI: 10.1016/j.physbeh.2011.07.007
    Calorie restriction (CR) has been promoted to increase longevity. Previous studies have indicated that CR can negatively affect mood and therefore the effect of CR on mood and quality of life (QOL) becomes crucial when considering the feasibility of CR in humans. We conducted a three month clinical trial on CR (reduction of 300 to 500 kcal/day) combined with two days/week of Muslim sunnah fasting (FCR) to determine the effectiveness of FCR on QOL among aging men in Klang Valley, Malaysia. A total of 25 healthy Malay men (age 58.8±5.1 years), with no chronic diseases and a BMI of 23.0 to 29.9 kg/m2 were randomized to FCR (n=12) and control (n=13) groups. Body composition measurements and QOL questionnaires were ascertained at baseline, week 6 and week 12. QOL was measured using the Short-Form 36, sleep quality was determined using the Pittsburgh Sleep Quality Index, the Beck Depression Inventory II was used to measure mood and the Perceived Stress Scale was used to measure depression. The FCR group had a significant reduction in body weight, BMI, body fat percentage and depression (P<0.05). The energy component of QOL was significantly increased in FCR group (p<0.05). There were no significant changes in sleep quality and stress level between the groups as a result of the intervention. In conclusion, FCR resulted in body weight and fat loss and alleviated depression with some improvement in the QOL in our study and has the potential to be implemented on a wider scale.
  12. Efficacy of fasting and calorie restriction (FCR) on mood and depression among ageing men
    Hussin NM, Shahar S, Teng NI, Ngah WZ, Das SK
    J Nutr Health Aging, 2013;17(8):674-80.
    PMID: 24097021 DOI: 10.1007/s12603-013-0344-9
    OBJECTIVE: An intervention study on the FCR (Fasting and Calorie Restriction) dietary regime was carried out to determine its efficacy in improving mood states and depression status among ageing men.

    SUBJECTS: A total of 32 healthy males (Mean±SD), aged 59.7±6.3 years, with a BMI of 26.7±2.2 kg/m2 were recruited to the study.

    METHOD: Participants were randomized to either the FCR group (and were instructed to follow a calorie restricted dietary regime with intermittent fasting) or to the control group (in which individuals were asked to maintain their current lifestyle), for a 3 month period. Mood was assessed using the Profile of Mood States and depression was assessed using Beck Depression Inventory-II and Geriatric Depression Scale-15 at baseline, week 6 and week 12 of the intervention.

    RESULTS: A total of 31 subjects completed the study (n=16, FCR and n=15, control). Significant decreases in tension, anger, confusion and total mood disturbance and improvements in vigor were observed in participants in the FCR group compared to the control group (p<0.05). No significant changes in mean depression scores were observed. Weight, BMI and percent body fat were reduced by 3.8%, 3.7% and 5.7% respectively in the FCR group.

    CONCLUSIONS: Our findings show that a FCR dietary regime is effective in improving mood states and nutritional status among ageing men.

  13. Fulltext Cross Effects of Diets and Rearing Temperatures on Gastrointestinal Evacuation and Growth Performance in Adult Sabah Groupers (Epinephelus fuscoguttatus × E. lanceolatus)
    Das SK, De M, Noor NM, Bakar Y, Cob ZC, Ghaffar MA
    Animals (Basel), 2022 Nov 16;12(22).
    PMID: 36428399 DOI: 10.3390/ani12223172
    This study explores the gastrointestinal evacuation time (GET) and gastrointestinal evacuation rate (GER) of the popular Sabah grouper (Epinephelus fuscoguttatus × E. lanceolatus) adults using two established methods (X-radiography and serial slaughter) and square root modeling using different temperatures: 28 °C, 30 °C, 32 °C, and 34 °C and different diets: pellet (ash: 11.4 ± 0.08; moisture: 29.0 ± 0.01; protein 37.5 ± 0.80; lipid 15.0 ± 0.13) and trash fish: Sardinella sp. (ash: 2.3 ± 0.15; moisture: 78.5 ± 0.33; protein 55.4 ± 0.62; lipid 7.3 ± 0.25) and the impact on growth indices. The results indicate that the GET shortened as temperature increased from 28 °C to 30 °C; however, it was prolonged when it surged to 32 °C and 34 °C. The groupers fed with trash fish at a temperature of 30 °C had the shortest GER (0.41 ± 0.10 g hr-1) whereas groupers fed with pellet at 34 °C had the longest GER (0.95 ± 0.02 g hr-1). Likewise, the highest SGR (16.25 ± 2.11% day-1) was observed at 30 °C for groupers fed with a trash fish diet. The condition (K) value was lowest at 34 °C for groupers fed with a pellet diet (1.01 ± 0.04) and highest at 30 °C for groupers fed with trash fish (1.45 ± 0.04). Our results suggest that temperature and diet influence growth indices and GE of adult Sabah groupers. Incorporation of this information will allow better management of this commercially important grouper species when reared in a controlled aquaculture environment.
  14. Seasonal dynamics of phytoplankton community and functional groups in a tropical river
    Haque MA, Jewel MAS, Akhi MM, Atique U, Paul AK, Iqbal S, et al.
    Environ Monit Assess, 2021 Oct 08;193(11):704.
    PMID: 34623504 DOI: 10.1007/s10661-021-09500-5
    Functional classification of phytoplankton could be a valuable tool in water quality monitoring in the eutrophic riverine ecosystems. This study is novel from the Bangladeshi perspective. In this study, phytoplankton cell density and diversity were studied with particular reference to the functional groups (FGs) approach during pre-monsoon, monsoon, and post-monsoon at four sampling stations in Karatoya River, Bangladesh. A total of 54 phytoplankton species were recorded under four classes, viz. Chlorophyceae (21 species) Cyanophyceae (16 species), Bacillariophyceae (15 species), and Euglenophyceae (2 species). A significantly higher total cell density of phytoplankton was detected during the pre-monsoon season (24.20 × 103 cells/l), while the lowest in monsoon (9.43 × 103 cells/l). The Shannon-Wiener diversity index varied significantly (F = 16.109, P = 000), with the highest value recorded during the post-monsoon season. Analysis of similarity (ANOSIM) identified significant variations among the three seasons (P 
  15. Evaluation of transfer factors of 226Ra, 232Th, and 40K radionuclides from soil to grass and mango in the northern region of Bangladesh
    Siraz MMM, Das SK, Mondol MS, Alam MS, Al Mahmud J, Rashid MB, et al.
    Environ Monit Assess, 2023 Apr 17;195(5):579.
    PMID: 37067680 DOI: 10.1007/s10661-023-11223-8
    Bangladesh is a rapidly developing country, which is vulnerable to various types of pollution due to the large-scale industrial and associated human activities that might potentially affect the locally harvested foodstuffs. Therefore, the transfer factor is an essential tool to assess the safety of foodstuffs due to the presence of natural radioactivity in environmental matrix and/or strata. This is a first study of its kind conducted in a well-known region for mango farming in Bangladesh, measuring the uptake of naturally occurring radioactive materials (NORMs) by grass and mango from soil to assess the ingestion doses to humans. The HPGe gamma-ray detector was used to determine the concentrations of NORMs in samples of soil (20), grass (10), and mango (10), which were then used to calculate the transfer factors of soil to grass and soil to mango. Average activity concentrations of 226Ra, 232Th, and 40K in associated soil samples (47.27 ± 4.10, 64.49 ± 4.32, 421.60 ± 28.85) of mango and 226Ra and 232Th in associated soil samples (45.07 ± 3.93, 52.17 ± 3.95) of grass were found to exceed the world average values. The average transfer factors (TFs) for mango were obtained in the order of 40K(0.80) > 226Ra (0.61) > 232Th (0.31), and for grass, it shows the order of 40K (0.78) > 232Th (0.64) > 226Ra (0.56). However, a few values (3 mango samples and 3 grass samples) of the estimated TFs exceeded the recommended limits. Moreover, Bangladesh lacks the transfer factors for most of the food crops; therefore, calculation of TFs in the major agricultural products is required all over Bangladesh, especially the foodstuffs produced near the Rooppur Nuclear Power Plant, which is scheduled to be commissioned in 2023.
  16. Fulltext Feeding ecology of Ellochelon vaigiensis (Quoy & Gaimard, 1825) living in the Mekong Delta, Vietnam
    Dinh QM, Truong NT, Nguyen THD, Lam TTH, Nguyen TTK, Le DQ, et al.
    Ecol Evol, 2022 Sep;12(9):e9352.
    PMID: 36188496 DOI: 10.1002/ece3.9352
    Ellochelon vaigiensis (squaretail mullet) adapts to a wide salt spectrum, grows quickly and is easy to raise with other species, so it is the object of attention in aquaculture. Information on the biology and ecology of the species, diet, in particular, is still scattered. Here, we explore the feeding habit, feeding intensity, and food composition of the squaretail mullet. A total of 942 fish (526 males and 416 females) were collected from November 2020 to October 2021 at four coastal sites in the Mekong Delta, Vietnam. The squaretail mullet is an algi-omnivorous fish, as their relative gut length (1.81) falls into the range 1-3, and the diet is mostly based on algae. The feeding intensity is high due to the high value of the fullness index (4.39 ± 0.08%). The fullness index did not vary by sampling site and month, while RGL and FI changed depending on sex. Bacillariophyta (49.13%), detritus derived from organic matter (30.37%), and Cyanophyta (18.39%) are the dominant food items in the diet composition of E. vaigiensis, in which detritus is the most important food with the highest IRI index. Besides, Euglenophyta (1.00%), Chlorophyta (0.95%), Paramecium (0.06%), Copepoda (0.04%), Rotatoria (0.03%), Polychaeta (0.02%), and Cladocera (0.01%) are also recorded and ranked based on their biovolume. Some differences in diet composition are observed between immature and mature at different seasons and their interactions. Our results increase the knowledge about the feeding ecology of squaretail mullet and can help the sustainable management of this commercially important fish species.
  17. Fulltext Hoven's carp Leptobarbus hoevenii strategized metabolism needs to cope with changing environment
    Mohamad S, Rahmah S, Zainuddin RA, A Thallib Y, Razali RS, Jalilah M, et al.
    Heliyon, 2024 Feb 29;10(4):e25559.
    PMID: 38404778 DOI: 10.1016/j.heliyon.2024.e25559
    Current water warming and freshwater acidification undoubtedly affect the life of aquatic animals especially ammonotelic teleost by altering their physiological responses. The effect of temperature (28 °C vs 32 °C) and pH (7 vs. 5) on the metabolic compromising strategies of Hoven's carp (Leptobarbus hoevenii) was investigated in this study. Fishes were conditioned to (i) 28 °C + pH 7 (N28°C); (ii) 32 °C + pH 7 (N32°C); (iii) 28 °C + pH 5 (L28°C) and (iv) 32 °C + pH 5 (L32°C) for 20 days followed by osmorespiration assay. Results showed that feeding performance of Hoven's carp was significantly depressed when exposed to low pH conditions (L28°C and L32°C). However, by exposed Hoven's carp to L32°C induced high metabolic oxygen intake and ammonia excretion to about 2x-folds higher compared to the control group. As for energy mobilization, Hoven's carp mobilized liver and muscle protein under L28°C condition. Whereas under high temperature in both pH, Hoven's carp had the tendency to reserve energy in both of liver and muscle. The findings of this study revealed that Hoven's carp is sensitive to lower water pH and high temperature, thereby they remodeled their physiological needs to cope with the environmental changes condition.
  18. Anti- COVID-19 drug discovery by flavonoid derivatives: an extensive computational drug design approach
    Banerjee S, Mukherjee S, Mohsin Kazi, Sen KK, Das A, Hasan R, et al.
    Cell Mol Biol (Noisy-le-grand), 2024 Sep 08;70(8):39-49.
    PMID: 39262264 DOI: 10.14715/cmb/2024.70.8.5
    The present study deals with the in-silico analyses of several flavonoid derivatives to explore COVID-19 through pharmacophore modelling, molecular docking, molecular dynamics, drug-likeness, and ADME properties. The initial literature study revealed that many flavonoids, including luteolin, quercetin, kaempferol, and baicalin may be useful against SARS β-coronaviruses, prompting the selection of their potential derivatives to investigate their abilities as inhibitors of COVID-19. The findings were streamlined using in silico molecular docking, which revealed promising energy-binding interactions between all flavonoid derivatives and the targeted protein. Notably, compounds 8, 9, 13, and 15 demonstrated higher potency against the coronavirus Mpro protein (PDB ID 6M2N). Compound 8 has a -7.2 Kcal/mol affinity for the protein and binds to it by hydrogen bonding with Gln192 and π-sulfur bonding with Met-165. Compound 9 exhibited a significant interaction with the main protease, demonstrating an affinity of -7.9 kcal/mol. Gln-192, Glu-189, Pro-168, and His-41 were the principle amino acid residues involved in this interaction. The docking score for compound 13 is -7.5 Kcal/mol, and it binds to the protease enzyme by making interactions with Leu-41, π-sigma, and Gln-189. These interactions include hydrogen bonding and π-sulfur. The major protease and compound 15 were found to bind with a favourable affinity of -6.8 Kcal/mol. This finding was further validated through molecular dynamic simulation for 1ns, analysing parameters such as RMSD, RMSF, and RoG profiles. The RoG values for all four of the compounds varied significantly (35.2-36.4). The results demonstrated the stability of the selected compounds during the simulation. After passing the stability testing, the compounds underwent screening for ADME and drug-likeness properties, fulfilling all the necessary criteria. The findings of the study may support further efforts for the discovery and development of safe drugs to treat COVID-19.
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